[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: [2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [2-(2,5-dimethoxyanilino)-2-oxo-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [2-(2,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyanilino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [2-(2,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C25H28N2O5/c1-5-9-19-17(6-2)24(18-10-7-8-11-20(18)26-19)25(29)32-15-23(28)27-21-14-16(30-3)12-13-22(21)31-4/h7-8,10-14H,5-6,9,15H2,1-4H3,(H,27,28)