6-ethoxy-2-(4-ethylphenyl)-7-methoxy-quinoline-4-carboxylic acid

Systemtic Name: 6-ethoxy-2-(4-ethylphenyl)-7-methoxy-quinoline-4-carboxylic acid Openeye Name: 6-ethoxy-2-(4-ethylphenyl)-7-methoxy-quinoline-4-carboxylic acid CAS Name: 6-ethoxy-2-(4-ethylphenyl)-7-methoxy-4-quinolinecarboxylic acid IUPAC Name: 6-ethoxy-2-(4-ethylphenyl)-7-methoxyquinoline-4-carboxylic acid Traditional Name: 6-ethoxy-2-(4-ethylphenyl)-7-methoxy-cinchoninic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=CC(=C(C=C3C(=C2)C(=O)O)OCC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=CC(=C(C=C3C(=C2)C(=O)O)OCC)OC

InChI

InChI=1S/C21H21NO4/c1-4-13-6-8-14(9-7-13)17-10-16(21(23)24)15-11-20(26-5-2)19(25-3)12-18(15)22-17/h6-12H,4-5H2,1-3H3,(H,23,24)