7-[3-[2-(aminomethyl)phenyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-[2-(aminomethyl)phenyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[2-(aminomethyl)phenyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[2-(aminomethyl)phenyl]-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[2-(aminomethyl)phenyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[2-(aminomethyl)phenyl]pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C25H26FN3O4 MolecularWeight: 451.490043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CCC(C3)C4=CC=CC=C4CN)F)C(=O)C(=CN2C5CC5)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCC(C3)C4=CC=CC=C4CN)F)C(=O)C(=CN2C5CC5)C(=O)O

InChI

InChI=1S/C25H26FN3O4/c1-33-24-21-18(23(30)19(25(31)32)13-29(21)16-6-7-16)10-20(26)22(24)28-9-8-15(12-28)17-5-3-2-4-14(17)11-27/h2-5,10,13,15-16H,6-9,11-12,27H2,1H3,(H,31,32)