7-[(3S,4R)-3-azanyl-4-methyl-pyrrolidin-1-yl]-1-(4-ethanoylphenyl)-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(3S,4R)-3-azanyl-4-methyl-pyrrolidin-1-yl]-1-(4-ethanoylphenyl)-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(4-acetylphenyl)-7-[(3S,4R)-3-amino-4-methyl-pyrrolidin-1-yl]-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(4-acetylphenyl)-7-[(3S,4R)-3-amino-4-methyl-1-pyrrolidinyl]-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(4-acetylphenyl)-7-[(3S,4R)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(4-acetylphenyl)-7-[(3S,4R)-3-amino-4-methyl-pyrrolidino]-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C24H24FN3O5 MolecularWeight: 453.462863

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC1N)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)C(=O)C)F

Isomeric SMILES

C[C@@H]1CN(C[C@H]1N)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)C(=O)C)F

InChI

InChI=1S/C24H24FN3O5/c1-12-9-27(11-19(12)26)21-18(25)8-16-20(23(21)33-3)28(10-17(22(16)30)24(31)32)15-6-4-14(5-7-15)13(2)29/h4-8,10,12,19H,9,11,26H2,1-3H3,(H,31,32)/t12-,19-/m1/s1