ethyl 1-[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]piperidine-3-carboxylate Traditional Name: 1-[2-(2-cyanoanilino)-2-keto-1-methyl-ethyl]nipecotic acid ethyl ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(C)C(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(C)C(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C18H23N3O3/c1-3-24-18(23)15-8-6-10-21(12-15)13(2)17(22)20-16-9-5-4-7-14(16)11-19/h4-5,7,9,13,15H,3,6,8,10,12H2,1-2H3,(H,20,22)