[1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2-sec-butylanilino)ethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid [2-keto-1-methyl-2-(2-sec-butylanilino)ethyl] ester Formula: C26H31ClN2O4 MolecularWeight: 470.98834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H31ClN2O4/c1-4-17(2)22-7-5-6-8-23(22)28-24(30)18(3)33-26(32)20-13-15-29(16-14-20)25(31)19-9-11-21(27)12-10-19/h5-12,17-18,20H,4,13-16H2,1-3H3,(H,28,30)