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

Systemtic Name: [4-[(2-chlorophenyl)carbonylamino]phenyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: [4-[(2-chlorobenzoyl)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-[[(2-chlorophenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(2-chlorobenzoyl)amino]phenyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid [4-[(2-chlorobenzoyl)amino]phenyl] ester Formula: C28H25ClN2O4 MolecularWeight: 488.9621

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Cl)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Cl)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C28H25ClN2O4/c29-25-9-5-4-8-24(25)27(33)30-22-11-13-23(14-12-22)35-28(34)21-16-18-31(19-17-21)26(32)15-10-20-6-2-1-3-7-20/h1-15,21H,16-19H2,(H,30,33)/b15-10+