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

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate CAS Name: 1-(2,2-dimethyl-1-oxopropyl)-4-piperidinecarboxylic acid [2-(3-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate Traditional Name: 1-pivaloylisonipecotic acid [2-(3-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C20H27ClN2O4 MolecularWeight: 394.89238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C(=O)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C(=O)C(C)(C)C)Cl

InChI

InChI=1S/C20H27ClN2O4/c1-13-5-6-15(11-16(13)21)22-17(24)12-27-18(25)14-7-9-23(10-8-14)19(26)20(2,3)4/h5-6,11,14H,7-10,12H2,1-4H3,(H,22,24)