7-[3-(aminomethyl)pyrrolidin-1-yl]-6-fluoranyl-1-(4-hydroxyphenyl)-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(aminomethyl)pyrrolidin-1-yl]-6-fluoranyl-1-(4-hydroxyphenyl)-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(aminomethyl)pyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(aminomethyl)-1-pyrrolidinyl]-6-fluoro-1-(4-hydroxyphenyl)-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(aminomethyl)pyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(aminomethyl)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:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN3O5/c1-31-21-18-15(8-17(23)19(21)25-7-6-12(9-24)10-25)20(28)16(22(29)30)11-26(18)13-2-4-14(27)5-3-13/h2-5,8,11-12,27H,6-7,9-10,24H2,1H3,(H,29,30)