1-cyclopropyl-6-fluoranyl-7-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[4-[3-(4-methoxyphenyl)-1-oxopropyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-[3-(4-methoxyphenyl)propanoyl]piperazino]quinoline-3-carboxylic acid Formula: C27H28FN3O5 MolecularWeight: 493.526723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C27H28FN3O5/c1-36-19-7-2-17(3-8-19)4-9-25(32)30-12-10-29(11-13-30)24-15-23-20(14-22(24)28)26(33)21(27(34)35)16-31(23)18-5-6-18/h2-3,7-8,14-16,18H,4-6,9-13H2,1H3,(H,34,35)