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

Systemtic Name: 1-cyclopropyl-7-[3-(hydroxymethyl)-5-methyl-4-oxidanyl-piperidin-1-yl]-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[4-hydroxy-3-(hydroxymethyl)-5-methyl-1-piperidyl]-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[4-hydroxy-3-(hydroxymethyl)-5-methyl-1-piperidinyl]-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[4-hydroxy-3-(hydroxymethyl)-5-methylpiperidin-1-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(4-hydroxy-3-methyl-5-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(CC(C1O)CO)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)C

Isomeric SMILES

CC1CN(CC(C1O)CO)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)C

InChI

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