[4-[(3-methylphenyl)carbonylamino]phenyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: [4-[(3-methylphenyl)carbonylamino]phenyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: [4-[(3-methylbenzoyl)amino]phenyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxylic acid [4-[[(3-methylphenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(3-methylbenzoyl)amino]phenyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid [4-(m-toluoylamino)phenyl] ester Formula: C29H28N2O4 MolecularWeight: 468.54362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)OC(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)OC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C29H28N2O4/c1-21-6-5-9-24(20-21)28(33)30-25-11-13-26(14-12-25)35-29(34)23-16-18-31(19-17-23)27(32)15-10-22-7-3-2-4-8-22/h2-15,20,23H,16-19H2,1H3,(H,30,33)/b15-10+