[1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: [1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: [2-[(4-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxylic acid [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid [2-[(4-chlorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C25H27ClN2O4 MolecularWeight: 454.94588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)Cl)OC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)Cl)OC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H27ClN2O4/c1-18(24(30)27-17-20-7-10-22(26)11-8-20)32-25(31)21-13-15-28(16-14-21)23(29)12-9-19-5-3-2-4-6-19/h2-12,18,21H,13-17H2,1H3,(H,27,30)/b12-9+