[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-pyridin-4-ylquinoline-4-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-pyridin-4-ylquinoline-4-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 2-pyridin-4-yl-4-quinolinecarboxylic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 2-(4-pyridyl)cinchoninic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O3/c1-16-11-17(2)13-19(12-16)27-24(29)15-31-25(30)21-14-23(18-7-9-26-10-8-18)28-22-6-4-3-5-20(21)22/h3-14H,15H2,1-2H3,(H,27,29)