2-(1,3-benzodioxol-5-yl)-7,8-dimethyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-7,8-dimethyl-quinoline-4-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-7,8-dimethyl-quinoline-4-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-7,8-dimethyl-4-quinolinecarboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-7,8-dimethylquinoline-4-carboxylic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-7,8-dimethyl-cinchoninic acid Formula: C19H15NO4 MolecularWeight: 321.3267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC4=C(C=C3)OCO4)C(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC4=C(C=C3)OCO4)C(=O)O)C

InChI

InChI=1S/C19H15NO4/c1-10-3-5-13-14(19(21)22)8-15(20-18(13)11(10)2)12-4-6-16-17(7-12)24-9-23-16/h3-8H,9H2,1-2H3,(H,21,22)