[2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(5-chloro-2,4-dimethoxy-anilino)-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-(5-chloro-2,4-dimethoxy-anilino)-2-keto-ethyl] ester Formula: C23H23ClN2O5 MolecularWeight: 442.89212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=CC(=C(C=C3OC)OC)Cl

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=CC(=C(C=C3OC)OC)Cl

InChI

InChI=1S/C23H23ClN2O5/c1-5-16-13(2)22(14-8-6-7-9-17(14)25-16)23(28)31-12-21(27)26-18-10-15(24)19(29-3)11-20(18)30-4/h6-11H,5,12H2,1-4H3,(H,26,27)