7,8-dimethyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 7,8-dimethyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxylic acid Openeye Name: 2-(4-isopropoxyphenyl)-7,8-dimethyl-quinoline-4-carboxylic acid CAS Name: 7,8-dimethyl-2-(4-propan-2-yloxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 7,8-dimethyl-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxylic acid Traditional Name: 2-(4-isopropoxyphenyl)-7,8-dimethyl-cinchoninic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=C(C=C3)OC(C)C)C(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=C(C=C3)OC(C)C)C(=O)O)C

InChI

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