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

Systemtic Name: [2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-pyridin-3-ylquinoline-4-carboxylate Openeye Name: [2-(2,5-dimethoxyanilino)-2-oxo-ethyl] 2-(3-pyridyl)quinoline-4-carboxylate CAS Name: 2-(3-pyridinyl)-4-quinolinecarboxylic acid [2-(2,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate Traditional Name: 2-(3-pyridyl)cinchoninic acid [2-(2,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4

InChI

InChI=1S/C25H21N3O5/c1-31-17-9-10-23(32-2)22(12-17)28-24(29)15-33-25(30)19-13-21(16-6-5-11-26-14-16)27-20-8-4-3-7-18(19)20/h3-14H,15H2,1-2H3,(H,28,29)