6-tert-butyl-2-(4-methoxy-2-methyl-phenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-tert-butyl-2-(4-methoxy-2-methyl-phenyl)quinoline-4-carboxylic acid Openeye Name: 6-tert-butyl-2-(4-methoxy-2-methyl-phenyl)quinoline-4-carboxylic acid CAS Name: 6-tert-butyl-2-(4-methoxy-2-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-tert-butyl-2-(4-methoxy-2-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-tert-butyl-2-(4-methoxy-2-methyl-phenyl)cinchoninic acid Formula: C22H23NO3 MolecularWeight: 349.42292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)C2=NC3=C(C=C(C=C3)C(C)(C)C)C(=C2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OC)C2=NC3=C(C=C(C=C3)C(C)(C)C)C(=C2)C(=O)O

InChI

InChI=1S/C22H23NO3/c1-13-10-15(26-5)7-8-16(13)20-12-18(21(24)25)17-11-14(22(2,3)4)6-9-19(17)23-20/h6-12H,1-5H3,(H,24,25)