[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [2-(3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-2-methylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [2-(3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H24ClN3O4/c1-15-18(23)8-5-9-19(15)25-20(27)14-30-21(28)16-10-12-26(13-11-16)22(29)24-17-6-3-2-4-7-17/h2-9,16H,10-14H2,1H3,(H,24,29)(H,25,27)