(phenylmethyl) 1-[(3-cyano-4-phenyl-phenyl)methyl-pentanoyl-amino]cyclohexane-1-carboxylate

Systemtic Name: (phenylmethyl) 1-[(3-cyano-4-phenyl-phenyl)methyl-pentanoyl-amino]cyclohexane-1-carboxylate Openeye Name: benzyl 1-[(3-cyano-4-phenyl-phenyl)methyl-pentanoyl-amino]cyclohexanecarboxylate CAS Name: 1-[(3-cyano-4-phenylphenyl)methyl-(1-oxopentyl)amino]-1-cyclohexanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[(3-cyano-4-phenylphenyl)methyl-pentanoylamino]cyclohexane-1-carboxylate Traditional Name: 1-[(3-cyano-4-phenyl-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=C2)C#N)C3(CCCCC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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