methyl 1-[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate Traditional Name: 1-[(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl]isonipecotic acid methyl ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)N2CCC(CC2)C(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C17H21N3O3/c1-12(20-9-7-14(8-10-20)17(22)23-2)16(21)19-15-5-3-13(11-18)4-6-15/h3-6,12,14H,7-10H2,1-2H3,(H,19,21)/t12-/m1/s1