2-(3,4-diethoxyphenyl)-6-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3,4-diethoxyphenyl)-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(3,4-diethoxyphenyl)-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-(3,4-diethoxyphenyl)-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(3,4-diethoxyphenyl)-6-methylquinoline-4-carboxylic acid Traditional Name: 2-(3,4-diethoxyphenyl)-6-methyl-cinchoninic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)O)OCC

InChI

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