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

Systemtic Name: ethyl 1-[1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(3-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-3-carboxylate Traditional Name: 1-[2-(3-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl]nipecotic acid ethyl ester Formula: C18H25ClN2O3 MolecularWeight: 352.8557

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(C)C(=O)NC2=C(C(=CC=C2)Cl)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(C)C(=O)NC2=C(C(=CC=C2)Cl)C

InChI

InChI=1S/C18H25ClN2O3/c1-4-24-18(23)14-7-6-10-21(11-14)13(3)17(22)20-16-9-5-8-15(19)12(16)2/h5,8-9,13-14H,4,6-7,10-11H2,1-3H3,(H,20,22)