1-cyclopropyl-7-[2-(hydroxymethyl)-6-methyl-pyridin-4-yl]-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-[2-(hydroxymethyl)-6-methyl-pyridin-4-yl]-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[2-(hydroxymethyl)-6-methyl-4-pyridyl]-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[2-(hydroxymethyl)-6-methyl-4-pyridinyl]-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[2-(hydroxymethyl)-6-methylpyridin-4-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-4-keto-8-methyl-7-(2-methyl-6-methylol-4-pyridyl)quinoline-3-carboxylic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)C)CO

Isomeric SMILES

CC1=NC(=CC(=C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)C)CO

InChI

InChI=1S/C21H20N2O4/c1-11-7-13(8-14(10-24)22-11)16-5-6-17-19(12(16)2)23(15-3-4-15)9-18(20(17)25)21(26)27/h5-9,15,24H,3-4,10H2,1-2H3,(H,26,27)