7-[(2R,4S)-4-azanyl-2-methyl-pyrrolidin-1-yl]-6-fluoranyl-1-(4-hydroxyphenyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(2R,4S)-4-azanyl-2-methyl-pyrrolidin-1-yl]-6-fluoranyl-1-(4-hydroxyphenyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(2R,4S)-4-amino-2-methyl-pyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(2R,4S)-4-amino-2-methyl-1-pyrrolidinyl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(2R,4S)-4-amino-2-methylpyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(2R,4S)-4-amino-2-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:

CC1CC(CN1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)O)F)N

Isomeric SMILES

C[C@@H]1C[C@@H](CN1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)O)F)N

InChI

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