2-(3-ethoxyphenyl)-6-ethyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3-ethoxyphenyl)-6-ethyl-quinoline-4-carboxylic acid Openeye Name: 2-(3-ethoxyphenyl)-6-ethyl-quinoline-4-carboxylic acid CAS Name: 2-(3-ethoxyphenyl)-6-ethyl-4-quinolinecarboxylic acid IUPAC Name: 2-(3-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid Traditional Name: 6-ethyl-2-m-phenetyl-cinchoninic acid Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC(=CC=C3)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC(=CC=C3)OCC

InChI

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