6,8-dimethyl-2-(2-propoxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6,8-dimethyl-2-(2-propoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 6,8-dimethyl-2-(2-propoxyphenyl)quinoline-4-carboxylic acid CAS Name: 6,8-dimethyl-2-(2-propoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6,8-dimethyl-2-(2-propoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 6,8-dimethyl-2-(2-propoxyphenyl)cinchoninic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC3=C(C=C(C=C3C(=C2)C(=O)O)C)C

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC3=C(C=C(C=C3C(=C2)C(=O)O)C)C

InChI

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