6,8-dimethyl-2-(3-propoxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6,8-dimethyl-2-(3-propoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 6,8-dimethyl-2-(3-propoxyphenyl)quinoline-4-carboxylic acid CAS Name: 6,8-dimethyl-2-(3-propoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6,8-dimethyl-2-(3-propoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 6,8-dimethyl-2-(3-propoxyphenyl)cinchoninic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)O)C)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)O)C)C

InChI

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