(phenylmethyl) 1-[(3-cyano-4-phenyl-phenyl)methylamino]cyclopentane-1-carboxylate hydrochloride

Systemtic Name: (phenylmethyl) 1-[(3-cyano-4-phenyl-phenyl)methylamino]cyclopentane-1-carboxylate hydrochloride Openeye Name: benzyl 1-[(3-cyano-4-phenyl-phenyl)methylamino]cyclopentanecarboxylate hydrochloride CAS Name: 1-[(3-cyano-4-phenylphenyl)methylamino]-1-cyclopentanecarboxylic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 1-[(3-cyano-4-phenylphenyl)methylamino]cyclopentane-1-carboxylate hydrochloride Traditional Name: 1-[(3-cyano-4-phenyl-benzyl)amino]cyclopentanecarboxylic acid benzyl ester hydrochloride Formula: C27H27ClN2O2 MolecularWeight: 446.96848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)OCC2=CC=CC=C2)NCC3=CC(=C(C=C3)C4=CC=CC=C4)C#N.Cl

Isomeric SMILES

C1CCC(C1)(C(=O)OCC2=CC=CC=C2)NCC3=CC(=C(C=C3)C4=CC=CC=C4)C#N.Cl

InChI

InChI=1S/C27H26N2O2.ClH/c28-18-24-17-22(13-14-25(24)23-11-5-2-6-12-23)19-29-27(15-7-8-16-27)26(30)31-20-21-9-3-1-4-10-21;/h1-6,9-14,17,29H,7-8,15-16,19-20H2;1H