(phenylmethyl) 2-[1-[3-[(4-cyanophenyl)carbonylamino]-2,2-dimethyl-5-phenyl-pentanoyl]piperidin-4-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[1-[3-[(4-cyanophenyl)carbonylamino]-2,2-dimethyl-5-phenyl-pentanoyl]piperidin-4-yl]ethanoate Openeye Name: benzyl 2-[1-[3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-5-phenyl-pentanoyl]-4-piperidyl]acetate CAS Name: 2-[1-[3-[[(4-cyanophenyl)-oxomethyl]amino]-2,2-dimethyl-1-oxo-5-phenylpentyl]-4-piperidinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-[3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-5-phenylpentanoyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-5-phenyl-pentanoyl]-4-piperidyl]acetic acid benzyl ester Formula: C35H39N3O4 MolecularWeight: 565.70186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C#N)C(=O)N3CCC(CC3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C(CCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C#N)C(=O)N3CCC(CC3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C35H39N3O4/c1-35(2,34(41)38-21-19-27(20-22-38)23-32(39)42-25-29-11-7-4-8-12-29)31(18-15-26-9-5-3-6-10-26)37-33(40)30-16-13-28(24-36)14-17-30/h3-14,16-17,27,31H,15,18-23,25H2,1-2H3,(H,37,40)