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

Systemtic Name: 7-[3-(aminomethyl)-3-methoxy-pyrrolidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(aminomethyl)-3-methoxy-pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(aminomethyl)-3-methoxy-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(aminomethyl)-3-methoxypyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(aminomethyl)-3-methoxy-pyrrolidino]-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C19H21F2N3O4 MolecularWeight: 393.384546

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F)CN

Isomeric SMILES

COC1(CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F)CN

InChI

InChI=1S/C19H21F2N3O4/c1-28-19(8-22)4-5-23(9-19)16-13(20)6-11-15(14(16)21)24(10-2-3-10)7-12(17(11)25)18(26)27/h6-7,10H,2-5,8-9,22H2,1H3,(H,26,27)