[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C19H19N3O3 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C19H19N3O3/c1-13-10-15(14-6-2-3-7-16(14)21-13)18(24)25-11-17(23)22-19(12-20)8-4-5-9-19/h2-3,6-7,10H,4-5,8-9,11H2,1H3,(H,22,23)