1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C27H26FN3O7 MolecularWeight: 523.509643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)F)C(=O)C(=CN2C6CC6)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)F)C(=O)C(=CN2C6CC6)C(=O)O

InChI

InChI=1S/C27H26FN3O7/c1-36-25-22-16(24(32)17(27(34)35)13-31(22)15-6-7-15)12-18(28)23(25)29-8-10-30(11-9-29)26(33)21-14-37-19-4-2-3-5-20(19)38-21/h2-5,12-13,15,21H,6-11,14H2,1H3,(H,34,35)