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

Systemtic Name: ethyl (3S)-1-[2-[(3-azanyl-4-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(3-amino-4-chloro-anilino)-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-(3-amino-4-chloroanilino)-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(3-amino-4-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(3-amino-4-chloro-anilino)-2-keto-ethyl]nipecotic acid ethyl ester Formula: C16H22ClN3O3 MolecularWeight: 339.81718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC(=O)NC2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C16H22ClN3O3/c1-2-23-16(22)11-4-3-7-20(9-11)10-15(21)19-12-5-6-13(17)14(18)8-12/h5-6,8,11H,2-4,7,9-10,18H2,1H3,(H,19,21)/t11-/m0/s1