1-cyclopropyl-7-(6-ethylpyridin-3-yl)-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-(6-ethylpyridin-3-yl)-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(6-ethyl-3-pyridyl)-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(6-ethyl-3-pyridinyl)-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(6-ethylpyridin-3-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(6-ethyl-3-pyridyl)-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(C=C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)C

Isomeric SMILES

CCC1=NC=C(C=C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)C

InChI

InChI=1S/C21H20N2O3/c1-3-14-5-4-13(10-22-14)16-8-9-17-19(12(16)2)23(15-6-7-15)11-18(20(17)24)21(25)26/h4-5,8-11,15H,3,6-7H2,1-2H3,(H,25,26)