6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid Openeye Name: 2-(3-isobutoxyphenyl)-6-methyl-quinoline-4-carboxylic acid CAS Name: 6-methyl-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid Traditional Name: 2-(3-isobutoxyphenyl)-6-methyl-cinchoninic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC(=CC=C3)OCC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC(=CC=C3)OCC(C)C

InChI

InChI=1S/C21H21NO3/c1-13(2)12-25-16-6-4-5-15(10-16)20-11-18(21(23)24)17-9-14(3)7-8-19(17)22-20/h4-11,13H,12H2,1-3H3,(H,23,24)