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

Systemtic Name: 1-cyclopropyl-7-[3-(hydroxymethyl)-3-oxidanyl-piperidin-1-yl]-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[3-hydroxy-3-(hydroxymethyl)-1-piperidyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[3-hydroxy-3-(hydroxymethyl)-1-piperidinyl]-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(3-hydroxy-3-methylol-piperidino)-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C20H24N2O6 MolecularWeight: 388.41436

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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)(CO)O

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O6/c1-28-18-15(21-8-2-7-20(27,10-21)11-23)6-5-13-16(18)22(12-3-4-12)9-14(17(13)24)19(25)26/h5-6,9,12,23,27H,2-4,7-8,10-11H2,1H3,(H,25,26)