(4-tert-butylphenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4-quinolinecarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)cinchoninic acid (4-tert-butylbenzyl) ester Formula: C27H24ClNO2 MolecularWeight: 429.93796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H24ClNO2/c1-27(2,3)20-12-8-18(9-13-20)17-31-26(30)23-16-25(19-10-14-21(28)15-11-19)29-24-7-5-4-6-22(23)24/h4-16H,17H2,1-3H3