7-[3,5-bis(hydroxymethyl)-4-oxidanyl-piperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3,5-bis(hydroxymethyl)-4-oxidanyl-piperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[4-hydroxy-3,5-bis(hydroxymethyl)-1-piperidyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[4-hydroxy-3,5-bis(hydroxymethyl)-1-piperidinyl]-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[4-hydroxy-3,5-bis(hydroxymethyl)piperidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(4-hydroxy-3,5-dimethylol-piperidino)-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C21H26N2O7 MolecularWeight: 418.44034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)N4CC(C(C(C4)CO)O)CO

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)N4CC(C(C(C4)CO)O)CO

InChI

InChI=1S/C21H26N2O7/c1-30-20-16(22-6-11(9-24)18(26)12(7-22)10-25)5-4-14-17(20)23(13-2-3-13)8-15(19(14)27)21(28)29/h4-5,8,11-13,18,24-26H,2-3,6-7,9-10H2,1H3,(H,28,29)