[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-ethanoylpiperidine-3-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-ethanoylpiperidine-3-carboxylate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-1-phenyl-ethyl] 1-acetylpiperidine-3-carboxylate CAS Name: 1-acetyl-3-piperidinecarboxylic acid [2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 1-acetylpiperidine-3-carboxylate Traditional Name: 1-acetylnipecotic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C23H25ClN2O5 MolecularWeight: 444.908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC(C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC(=O)N1CCCC(C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C23H25ClN2O5/c1-15(27)26-12-6-9-17(14-26)23(29)31-21(16-7-4-3-5-8-16)22(28)25-18-10-11-20(30-2)19(24)13-18/h3-5,7-8,10-11,13,17,21H,6,9,12,14H2,1-2H3,(H,25,28)