[1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-[4-(butanoylamino)phenyl]-1-methyl-2-oxo-ethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [1-oxo-1-[4-(1-oxobutylamino)phenyl]propan-2-yl] ester IUPAC Name: [1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid [2-(4-butyramidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C26H29ClN2O5 MolecularWeight: 484.97186

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H29ClN2O5/c1-3-4-23(30)28-22-11-7-18(8-12-22)24(31)17(2)34-26(33)20-13-15-29(16-14-20)25(32)19-5-9-21(27)10-6-19/h5-12,17,20H,3-4,13-16H2,1-2H3,(H,28,30)