1-cyclopropyl-6,8-bis(fluoranyl)-5-[(4-methoxyphenyl)methylamino]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-5-[(4-methoxyphenyl)methylamino]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-5-[(4-methoxyphenyl)methylamino]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-5-[(4-methoxyphenyl)methylamino]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-5-[(4-methoxyphenyl)methylamino]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-5-(p-anisylamino)quinoline-3-carboxylic acid Formula: C21H18F2N2O4 MolecularWeight: 400.375426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=C(C=C(C3=C2C(=O)C(=CN3C4CC4)C(=O)O)F)F

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=C(C=C(C3=C2C(=O)C(=CN3C4CC4)C(=O)O)F)F

InChI

InChI=1S/C21H18F2N2O4/c1-29-13-6-2-11(3-7-13)9-24-18-15(22)8-16(23)19-17(18)20(26)14(21(27)28)10-25(19)12-4-5-12/h2-3,6-8,10,12,24H,4-5,9H2,1H3,(H,27,28)