(phenylmethyl) 2-[4-(4-chlorophenyl)phenyl]carbonyl-5-(hydroxymethyl)cyclopentane-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[4-(4-chlorophenyl)phenyl]carbonyl-5-(hydroxymethyl)cyclopentane-1-carboxylate Openeye Name: benzyl 2-[4-(4-chlorophenyl)benzoyl]-5-(hydroxymethyl)cyclopentanecarboxylate CAS Name: 2-[[4-(4-chlorophenyl)phenyl]-oxomethyl]-5-(hydroxymethyl)-1-cyclopentanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(4-chlorophenyl)benzoyl]-5-(hydroxymethyl)cyclopentane-1-carboxylate Traditional Name: 2-[4-(4-chlorophenyl)benzoyl]-5-methylol-cyclopentanecarboxylic acid benzyl ester Formula: C27H25ClO4 MolecularWeight: 448.938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1CO)C(=O)OCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC(C(C1CO)C(=O)OCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H25ClO4/c28-23-13-10-20(11-14-23)19-6-8-21(9-7-19)26(30)24-15-12-22(16-29)25(24)27(31)32-17-18-4-2-1-3-5-18/h1-11,13-14,22,24-25,29H,12,15-17H2