1-cyclopropyl-6-fluoranyl-7-[4-[2-(4-methoxy-2-oxidanyl-phenyl)-2-oxidanylidene-ethyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[4-[2-(4-methoxy-2-oxidanyl-phenyl)-2-oxidanylidene-ethyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[4-[2-(2-hydroxy-4-methoxy-phenyl)-2-oxo-ethyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[4-[2-(2-hydroxy-4-methoxyphenyl)-2-oxoethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[4-[2-(2-hydroxy-4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-7-[4-[2-(2-hydroxy-4-methoxy-phenyl)-2-keto-ethyl]piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C26H26FN3O6 MolecularWeight: 495.499543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)CN2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F)O

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)CN2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F)O

InChI

InChI=1S/C26H26FN3O6/c1-36-16-4-5-17(23(31)10-16)24(32)14-28-6-8-29(9-7-28)22-12-21-18(11-20(22)27)25(33)19(26(34)35)13-30(21)15-2-3-15/h4-5,10-13,15,31H,2-3,6-9,14H2,1H3,(H,34,35)