1-cyclopropyl-6-fluoranyl-7-[3-methyl-4-(3-oxidanylidene-3-phenylmethoxy-propyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[3-methyl-4-(3-oxidanylidene-3-phenylmethoxy-propyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(3-benzyloxy-3-oxo-propyl)-3-methyl-piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[3-methyl-4-(3-oxo-3-phenylmethoxypropyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[3-methyl-4-(3-oxo-3-phenylmethoxypropyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(3-benzoxy-3-keto-propyl)-3-methyl-piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C28H30FN3O5 MolecularWeight: 507.553303

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CCC(=O)OCC2=CC=CC=C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

CC1CN(CCN1CCC(=O)OCC2=CC=CC=C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C28H30FN3O5/c1-18-15-31(12-11-30(18)10-9-26(33)37-17-19-5-3-2-4-6-19)25-14-24-21(13-23(25)29)27(34)22(28(35)36)16-32(24)20-7-8-20/h2-6,13-14,16,18,20H,7-12,15,17H2,1H3,(H,35,36)