1-cyclopropyl-7-[(3,4-dimethoxyphenyl)methylamino]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-[(3,4-dimethoxyphenyl)methylamino]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[(3,4-dimethoxyphenyl)methylamino]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[(3,4-dimethoxyphenyl)methylamino]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[(3,4-dimethoxyphenyl)methylamino]-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-(veratrylamino)quinoline-3-carboxylic acid Formula: C22H21FN2O5 MolecularWeight: 412.410943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)OC

InChI

InChI=1S/C22H21FN2O5/c1-29-19-6-3-12(7-20(19)30-2)10-24-17-9-18-14(8-16(17)23)21(26)15(22(27)28)11-25(18)13-4-5-13/h3,6-9,11,13,24H,4-5,10H2,1-2H3,(H,27,28)