3,6-dimethyl-2-(4-propoxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 3,6-dimethyl-2-(4-propoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 3,6-dimethyl-2-(4-propoxyphenyl)quinoline-4-carboxylic acid CAS Name: 3,6-dimethyl-2-(4-propoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 3,6-dimethyl-2-(4-propoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 3,6-dimethyl-2-(4-propoxyphenyl)cinchoninic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)O)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)O)C

InChI

InChI=1S/C21H21NO3/c1-4-11-25-16-8-6-15(7-9-16)20-14(3)19(21(23)24)17-12-13(2)5-10-18(17)22-20/h5-10,12H,4,11H2,1-3H3,(H,23,24)