[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-(5-methyl-2-furyl)quinoline-4-carboxylate CAS Name: 2-(5-methyl-2-furanyl)-4-quinolinecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-methyl-2-furyl)cinchoninic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C24H23N3O4 MolecularWeight: 417.45712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4(CCCCC4)C#N

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4(CCCCC4)C#N

InChI

InChI=1S/C24H23N3O4/c1-16-9-10-21(31-16)20-13-18(17-7-3-4-8-19(17)26-20)23(29)30-14-22(28)27-24(15-25)11-5-2-6-12-24/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,27,28)