7-[3-azanyl-4-(4-methoxyphenyl)pyrrolidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-azanyl-4-(4-methoxyphenyl)pyrrolidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-amino-4-(4-methoxyphenyl)-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-amino-4-(4-methoxyphenyl)pyrrolidino]-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C24H23F2N3O4 MolecularWeight: 455.453926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CN(CC2N)C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

COC1=CC=C(C=C1)C2CN(CC2N)C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C24H23F2N3O4/c1-33-14-6-2-12(3-7-14)16-9-28(11-19(16)27)22-18(25)8-15-21(20(22)26)29(13-4-5-13)10-17(23(15)30)24(31)32/h2-3,6-8,10,13,16,19H,4-5,9,11,27H2,1H3,(H,31,32)