2-(3,4-dimethylphenyl)-8-propan-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3,4-dimethylphenyl)-8-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 2-(3,4-dimethylphenyl)-8-isopropyl-quinoline-4-carboxylic acid CAS Name: 2-(3,4-dimethylphenyl)-8-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 2-(3,4-dimethylphenyl)-8-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 2-(3,4-dimethylphenyl)-8-isopropyl-cinchoninic acid Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(C=CC=C3C(C)C)C(=C2)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(C=CC=C3C(C)C)C(=C2)C(=O)O)C

InChI

InChI=1S/C21H21NO2/c1-12(2)16-6-5-7-17-18(21(23)24)11-19(22-20(16)17)15-9-8-13(3)14(4)10-15/h5-12H,1-4H3,(H,23,24)