[1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-pyrrolidin-1-ylcarbonylpiperidine-3-carboxylate

Systemtic Name: [1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-pyrrolidin-1-ylcarbonylpiperidine-3-carboxylate Openeye Name: [2-(4-chloro-2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl] 1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylate CAS Name: 1-[oxo(1-pyrrolidinyl)methyl]-3-piperidinecarboxylic acid [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(pyrrolidine-1-carbonyl)nipecotic acid [2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C22H30ClN3O5 MolecularWeight: 451.9437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)OC(=O)C2CCCN(C2)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)OC(=O)C2CCCN(C2)C(=O)N3CCCC3

InChI

InChI=1S/C22H30ClN3O5/c1-14-11-18(19(30-3)12-17(14)23)24-20(27)15(2)31-21(28)16-7-6-10-26(13-16)22(29)25-8-4-5-9-25/h11-12,15-16H,4-10,13H2,1-3H3,(H,24,27)