ethyl 7-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 7-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 1-ethyl-6-fluoro-7-[homoveratryl(methyl)amino]-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C25H29FN2O5 MolecularWeight: 456.506563

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N(C)CCC3=CC(=C(C=C3)OC)OC)F)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N(C)CCC3=CC(=C(C=C3)OC)OC)F)C(=O)OCC

InChI

InChI=1S/C25H29FN2O5/c1-6-28-15-18(25(30)33-7-2)24(29)17-13-19(26)21(14-20(17)28)27(3)11-10-16-8-9-22(31-4)23(12-16)32-5/h8-9,12-15H,6-7,10-11H2,1-5H3