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Benzoic acid,4-[(1E)-2-[5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-3-(1H-pyrazol-1-ylmethyl)-2-naphthalenyl]ethenyl]- (410528-02-8)

Identification
Name:Benzoic acid,4-[(1E)-2-[5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-3-(1H-pyrazol-1-ylmethyl)-2-naphthalenyl]ethenyl]-
Synonyms:Palovarotene;R 667;Ro 3300074;
CAS:410528-02-8
Molecular Formula: C27H30N2O2
Molecular Weight: 414.54
InChI: 1S/C27H30N2O2/c1-26(2)12-13-27(3,4)24-17-22(18-29-15-5-14-28-29)21(16-23(24)26)11-8-19-6-9-20(10-7-19)25(30)31/h5-11,14-17H,12-13,18H2,1-4H3,(H,30,31)/b11-8+
Molecular Structure: (C27H30N2O2) Palovarotene;R 667;Ro 3300074;
Properties
Density:1.11g/cm3
Specification:

The Palovarotene with the cas number 410528-02-8 is also called Ro 3300074. The IUPAC name is 4-[(E)-2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethenyl]benzoic acid. Its molecular formula is C27H30N2O2. This chemical is a kind of organics. It should be stored in dry and cool environment.

Properties Computed from Structure: (1)XLogP3-AA: 6.8; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 5; (5)Exact Mass: 414.230728; (6)MonoIsotopic Mass: 414.230728; (7)Topological Polar Surface Area: 55.1; (8)Heavy Atom Count: 31; (9)Formal Charge: 0; (10)Complexity: 662; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 1; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1(CCC(C2=C1C=C(C(=C2)C=CC3=CC=C(C=C3)C(=O)O)CN4C=CC=N4)(C)C)C
(2)InChI: InChI=1S/C27H30N2O2/c1-26(2)12-13-27(3,
4)24-17-22(18-29-15-5-14-28-29)21(16-23(24)26)11-8-19-6-9-20(10-7-19)25
(30)31/h5-11,14-17H,12-13,18H2,1-4H3,(H,30,31)/b11-8+
(3)InChIKey: YTFHCXIPDIHOIA-DHZHZOJOSA-N

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