7-(3-azanylpyrrolidin-1-yl)-6-fluoranyl-1-(4-hydroxyphenyl)-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(3-azanylpyrrolidin-1-yl)-6-fluoranyl-1-(4-hydroxyphenyl)-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(4-hydroxyphenyl)-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(4-hydroxyphenyl)-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(4-hydroxyphenyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3-aminopyrrolidino)-6-fluoro-1-(4-hydroxyphenyl)-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C21H20FN3O5 MolecularWeight: 413.399003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CCC(C3)N)F)C(=O)C(=CN2C4=CC=C(C=C4)O)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCC(C3)N)F)C(=O)C(=CN2C4=CC=C(C=C4)O)C(=O)O

InChI

InChI=1S/C21H20FN3O5/c1-30-20-17-14(8-16(22)18(20)24-7-6-11(23)9-24)19(27)15(21(28)29)10-25(17)12-2-4-13(26)5-3-12/h2-5,8,10-11,26H,6-7,9,23H2,1H3,(H,28,29)