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

Systemtic Name: 7-[(3S,4R)-3-azanyl-4-methyl-pyrrolidin-1-yl]-6-fluoranyl-1-(4-hydroxyphenyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3S,4R)-3-amino-4-methyl-pyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3S,4R)-3-amino-4-methyl-1-pyrrolidinyl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3S,4R)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3S,4R)-3-amino-4-methyl-pyrrolidino]-6-fluoro-1-(4-hydroxyphenyl)-4-keto-quinoline-3-carboxylic acid Formula: C21H20FN3O4 MolecularWeight: 397.399603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3O4/c1-11-8-24(10-17(11)23)19-7-18-14(6-16(19)22)20(27)15(21(28)29)9-25(18)12-2-4-13(26)5-3-12/h2-7,9,11,17,26H,8,10,23H2,1H3,(H,28,29)/t11-,17-/m1/s1