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

Systemtic Name: 7-[4-[1,3-bis(oxidanyl)propyl]piperidin-1-yl]-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[4-(1,3-dihydroxypropyl)-1-piperidyl]-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[4-(1,3-dihydroxypropyl)-1-piperidinyl]-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[4-(1,3-dihydroxypropyl)piperidin-1-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[4-(1,3-dihydroxypropyl)piperidino]-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)N4CCC(CC4)C(CCO)O

Isomeric SMILES

CC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)N4CCC(CC4)C(CCO)O

InChI

InChI=1S/C22H28N2O5/c1-13-18(23-9-6-14(7-10-23)19(26)8-11-25)5-4-16-20(13)24(15-2-3-15)12-17(21(16)27)22(28)29/h4-5,12,14-15,19,25-26H,2-3,6-11H2,1H3,(H,28,29)