(4-tert-butylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: (4-tert-butylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: (4-tert-butylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid (4-tert-butylphenyl) ester Formula: C27H25NO3 MolecularWeight: 411.4923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H25NO3/c1-27(2,3)19-11-15-21(16-12-19)31-26(29)23-17-25(18-9-13-20(30-4)14-10-18)28-24-8-6-5-7-22(23)24/h5-17H,1-4H3