[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C19H19N3O3 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H19N3O3/c20-13-19(10-4-1-5-11-19)22-17(23)12-25-18(24)16-9-8-14-6-2-3-7-15(14)21-16/h2-3,6-9H,1,4-5,10-12H2,(H,22,23)