(phenylmethyl) (3S,4R,5R)-4-(4-chlorophenyl)carbonyl-3-methyl-5-phenyl-cyclopentene-1-carboxylate

Systemtic Name: (phenylmethyl) (3S,4R,5R)-4-(4-chlorophenyl)carbonyl-3-methyl-5-phenyl-cyclopentene-1-carboxylate Openeye Name: benzyl (3S,4R,5R)-4-(4-chlorobenzoyl)-3-methyl-5-phenyl-cyclopentene-1-carboxylate CAS Name: (3S,4R,5R)-4-[(4-chlorophenyl)-oxomethyl]-3-methyl-5-phenyl-1-cyclopentenecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S,4R,5R)-4-(4-chlorobenzoyl)-3-methyl-5-phenylcyclopentene-1-carboxylate Traditional Name: (3S,4R,5R)-4-(4-chlorobenzoyl)-3-methyl-5-phenyl-cyclopentene-1-carboxylic acid benzyl ester Formula: C27H23ClO3 MolecularWeight: 430.92272

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C(C1C(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C[C@H]1C=C([C@H]([C@@H]1C(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H23ClO3/c1-18-16-23(27(30)31-17-19-8-4-2-5-9-19)25(20-10-6-3-7-11-20)24(18)26(29)21-12-14-22(28)15-13-21/h2-16,18,24-25H,17H2,1H3/t18-,24+,25+/m0/s1