2-(1,3-benzodioxol-5-yl)-6-ethyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-6-ethyl-quinoline-4-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-6-ethyl-quinoline-4-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-6-ethyl-4-quinolinecarboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-6-ethylquinoline-4-carboxylic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-6-ethyl-cinchoninic acid Formula: C19H15NO4 MolecularWeight: 321.3267

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

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