6-tert-butyl-2-(3-methoxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-tert-butyl-2-(3-methoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 6-tert-butyl-2-(3-methoxyphenyl)quinoline-4-carboxylic acid CAS Name: 6-tert-butyl-2-(3-methoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-tert-butyl-2-(3-methoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 6-tert-butyl-2-(3-methoxyphenyl)cinchoninic acid Formula: C21H21NO3 MolecularWeight: 335.39634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC(=CC=C3)OC

InChI

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