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

Systemtic Name: 1-cyclopropyl-7-[5-(hydroxymethyl)pyridin-3-yl]-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[5-(hydroxymethyl)-3-pyridyl]-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[5-(hydroxymethyl)-3-pyridinyl]-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[5-(hydroxymethyl)pyridin-3-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-4-keto-8-methyl-7-(5-methylol-3-pyridyl)quinoline-3-carboxylic acid Formula: C20H18N2O4 MolecularWeight: 350.36792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC(=CN=C4)CO

Isomeric SMILES

CC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC(=CN=C4)CO

InChI

InChI=1S/C20H18N2O4/c1-11-15(13-6-12(10-23)7-21-8-13)4-5-16-18(11)22(14-2-3-14)9-17(19(16)24)20(25)26/h4-9,14,23H,2-3,10H2,1H3,(H,25,26)