[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 2-(5-methyl-2-furyl)quinoline-4-carboxylate CAS Name: 2-(5-methyl-2-furanyl)-4-quinolinecarboxylic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-methyl-2-furyl)cinchoninic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(O4)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(O4)C

InChI

InChI=1S/C25H22N2O4/c1-15-7-6-8-16(2)24(15)27-23(28)14-30-25(29)19-13-21(22-12-11-17(3)31-22)26-20-10-5-4-9-18(19)20/h4-13H,14H2,1-3H3,(H,27,28)