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

Systemtic Name: (phenylmethyl) 1-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]cyclohexane-1-carboxylate Openeye Name: benzyl 1-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]cyclohexanecarboxylate CAS Name: 1-[[4-(2-cyanophenyl)phenyl]methyl-(1-oxopentyl)amino]-1-cyclohexanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]cyclohexane-1-carboxylate Traditional Name: 1-[[4-(2-cyanophenyl)benzyl]-valeryl-amino]cyclohexanecarboxylic acid benzyl ester Formula: C33H36N2O3 MolecularWeight: 508.65054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C3(CCCCC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C3(CCCCC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C33H36N2O3/c1-2-3-16-31(36)35(24-26-17-19-28(20-18-26)30-15-9-8-14-29(30)23-34)33(21-10-5-11-22-33)32(37)38-25-27-12-6-4-7-13-27/h4,6-9,12-15,17-20H,2-3,5,10-11,16,21-22,24-25H2,1H3