[(4-cyano-4-phenyl-piperidin-1-yl)carbonylamino] 2-[(2,6-dimethylphenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: [(4-cyano-4-phenyl-piperidin-1-yl)carbonylamino] 2-[(2,6-dimethylphenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: [(4-cyano-4-phenyl-piperidine-1-carbonyl)amino] 2-[(2,6-dimethylbenzoyl)amino]-3-phenyl-propanoate CAS Name: 2-[[(2,6-dimethylphenyl)-oxomethyl]amino]-3-phenylpropanoic acid [[(4-cyano-4-phenyl-1-piperidinyl)-oxomethyl]amino] ester IUPAC Name: [(4-cyano-4-phenylpiperidine-1-carbonyl)amino] 2-[(2,6-dimethylbenzoyl)amino]-3-phenylpropanoate Traditional Name: 2-[(2,6-dimethylbenzoyl)amino]-3-phenyl-propionic acid [(4-cyano-4-phenyl-piperidine-1-carbonyl)amino] ester Formula: C31H32N4O4 MolecularWeight: 524.61018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C(=O)NC(CC2=CC=CC=C2)C(=O)ONC(=O)N3CCC(CC3)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)C(=O)NC(CC2=CC=CC=C2)C(=O)ONC(=O)N3CCC(CC3)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C31H32N4O4/c1-22-10-9-11-23(2)27(22)28(36)33-26(20-24-12-5-3-6-13-24)29(37)39-34-30(38)35-18-16-31(21-32,17-19-35)25-14-7-4-8-15-25/h3-15,26H,16-20H2,1-2H3,(H,33,36)(H,34,38)