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

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H21N3O3/c1-14(18(24)23-20(13-21)11-5-2-6-12-20)26-19(25)17-10-9-15-7-3-4-8-16(15)22-17/h3-4,7-10,14H,2,5-6,11-12H2,1H3,(H,23,24)