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

Systemtic Name: [1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: [2-(2-acetylanilino)-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-(2-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-acetylanilino)-1-oxopropan-2-yl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid [2-(2-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C26H28N2O5/c1-18(29)22-10-6-7-11-23(22)27-25(31)19(2)33-26(32)21-14-16-28(17-15-21)24(30)13-12-20-8-4-3-5-9-20/h3-13,19,21H,14-17H2,1-2H3,(H,27,31)/b13-12+