(phenylmethyl) 1-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]cyclopentane-1-carboxylate

Systemtic Name: (phenylmethyl) 1-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]cyclopentane-1-carboxylate Openeye Name: benzyl 1-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]cyclopentanecarboxylate CAS Name: 1-[[4-(2-cyanophenyl)phenyl]methyl-(1-oxopentyl)amino]-1-cyclopentanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]cyclopentane-1-carboxylate Traditional Name: 1-[[4-(2-cyanophenyl)benzyl]-valeryl-amino]cyclopentanecarboxylic acid benzyl ester Formula: C32H34N2O3 MolecularWeight: 494.62396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C3(CCCC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C3(CCCC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C32H34N2O3/c1-2-3-15-30(35)34(23-25-16-18-27(19-17-25)29-14-8-7-13-28(29)22-33)32(20-9-10-21-32)31(36)37-24-26-11-5-4-6-12-26/h4-8,11-14,16-19H,2-3,9-10,15,20-21,23-24H2,1H3