2-(2,5-dimethylphenyl)-6-ethoxy-quinoline-4-carboxylic acid

Systemtic Name: 2-(2,5-dimethylphenyl)-6-ethoxy-quinoline-4-carboxylic acid Openeye Name: 2-(2,5-dimethylphenyl)-6-ethoxy-quinoline-4-carboxylic acid CAS Name: 2-(2,5-dimethylphenyl)-6-ethoxy-4-quinolinecarboxylic acid IUPAC Name: 2-(2,5-dimethylphenyl)-6-ethoxyquinoline-4-carboxylic acid Traditional Name: 2-(2,5-dimethylphenyl)-6-ethoxy-cinchoninic acid Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C20H19NO3/c1-4-24-14-7-8-18-16(10-14)17(20(22)23)11-19(21-18)15-9-12(2)5-6-13(15)3/h5-11H,4H2,1-3H3,(H,22,23)