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

Systemtic Name: 7-[3-[1,2-bis(oxidanyl)ethyl]piperidin-1-yl]-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)-1-piperidyl]-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)-1-piperidinyl]-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)piperidin-1-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)piperidino]-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)N4CCCC(C4)C(CO)O

Isomeric SMILES

CC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)N4CCCC(C4)C(CO)O

InChI

InChI=1S/C21H26N2O5/c1-12-17(22-8-2-3-13(9-22)18(25)11-24)7-6-15-19(12)23(14-4-5-14)10-16(20(15)26)21(27)28/h6-7,10,13-14,18,24-25H,2-5,8-9,11H2,1H3,(H,27,28)