2-[2-(acetamidomethyl)piperidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 2-[2-(acetamidomethyl)piperidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-[2-(acetamidomethyl)-1-piperidyl]-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 2-[2-(acetamidomethyl)-1-piperidinyl]-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 2-[2-(acetamidomethyl)piperidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 2-[2-(acetamidomethyl)piperidino]-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H23F2N3O4 MolecularWeight: 419.421826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1CCCCN1C2=C(C(=O)C3=CC(=CC(=C3N2C4CC4)F)F)C(=O)O

Isomeric SMILES

CC(=O)NCC1CCCCN1C2=C(C(=O)C3=CC(=CC(=C3N2C4CC4)F)F)C(=O)O

InChI

InChI=1S/C21H23F2N3O4/c1-11(27)24-10-14-4-2-3-7-25(14)20-17(21(29)30)19(28)15-8-12(22)9-16(23)18(15)26(20)13-5-6-13/h8-9,13-14H,2-7,10H2,1H3,(H,24,27)(H,29,30)