7-[3-[1,2-bis(oxidanyl)ethyl]piperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-[1,2-bis(oxidanyl)ethyl]piperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)-1-piperidyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)-1-piperidinyl]-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)piperidino]-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)N4CCCC(C4)C(CO)O

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)N4CCCC(C4)C(CO)O

InChI

InChI=1S/C21H26N2O6/c1-29-20-16(22-8-2-3-12(9-22)17(25)11-24)7-6-14-18(20)23(13-4-5-13)10-15(19(14)26)21(27)28/h6-7,10,12-13,17,24-25H,2-5,8-9,11H2,1H3,(H,27,28)