ethyl 1-[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[1-(3-cyanoanilino)-1-oxopropan-2-yl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(3-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate Traditional Name: 1-[2-(3-cyanoanilino)-2-keto-1-methyl-ethyl]isonipecotic acid ethyl ester Formula: C18H23N3O3 MolecularWeight: 329.39352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C)C(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(C)C(=O)NC2=CC=CC(=C2)C#N

InChI

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