7-[4-[1,3-bis(oxidanyl)propyl]piperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[1,3-bis(oxidanyl)propyl]piperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[4-(1,3-dihydroxypropyl)-1-piperidyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[4-(1,3-dihydroxypropyl)-1-piperidinyl]-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[4-(1,3-dihydroxypropyl)piperidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[4-(1,3-dihydroxypropyl)piperidino]-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)N4CCC(CC4)C(CCO)O

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)N4CCC(CC4)C(CCO)O

InChI

InChI=1S/C22H28N2O6/c1-30-21-17(23-9-6-13(7-10-23)18(26)8-11-25)5-4-15-19(21)24(14-2-3-14)12-16(20(15)27)22(28)29/h4-5,12-14,18,25-26H,2-3,6-11H2,1H3,(H,28,29)