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

Systemtic Name: 7-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-[homoveratryl(methyl)amino]-4-keto-quinoline-3-carboxylic acid Formula: C23H25FN2O5 MolecularWeight: 428.453403

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN2O5/c1-5-26-13-16(23(28)29)22(27)15-11-17(24)19(12-18(15)26)25(2)9-8-14-6-7-20(30-3)21(10-14)31-4/h6-7,10-13H,5,8-9H2,1-4H3,(H,28,29)