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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(CO)O)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)C

Isomeric SMILES

CC1CN(CCC1(CO)O)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)C

InChI

InChI=1S/C21H26N2O5/c1-12-9-22(8-7-21(12,28)11-24)17-6-5-15-18(13(17)2)23(14-3-4-14)10-16(19(15)25)20(26)27/h5-6,10,12,14,24,28H,3-4,7-9,11H2,1-2H3,(H,26,27)