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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-7-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-7-methyl-quinoline-4-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-7-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-7-methylquinoline-4-carboxylic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-7-methyl-cinchoninic acid Formula: C18H13NO4 MolecularWeight: 307.30012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=N2)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=N2)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C18H13NO4/c1-10-2-4-12-13(18(20)21)8-14(19-15(12)6-10)11-3-5-16-17(7-11)23-9-22-16/h2-8H,9H2,1H3,(H,20,21)