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

Systemtic Name: 7-[(3S,4R)-3-azanyl-4-methyl-pyrrolidin-1-yl]-6-fluoranyl-1-(4-hydroxyphenyl)-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3S,4R)-3-amino-4-methyl-pyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3S,4R)-3-amino-4-methyl-1-pyrrolidinyl]-6-fluoro-1-(4-hydroxyphenyl)-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3S,4R)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3S,4R)-3-amino-4-methyl-pyrrolidino]-6-fluoro-1-(4-hydroxyphenyl)-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H22FN3O5 MolecularWeight: 427.425583

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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)O)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)O)F

InChI

InChI=1S/C22H22FN3O5/c1-11-8-25(10-17(11)24)19-16(23)7-14-18(21(19)31-2)26(9-15(20(14)28)22(29)30)12-3-5-13(27)6-4-12/h3-7,9,11,17,27H,8,10,24H2,1-2H3,(H,29,30)/t11-,17-/m1/s1