[1-[(4-chlorophenyl)methyl]-2,2,4-trimethyl-quinolin-6-yl] 3,5-dimethoxybenzoate

Systemtic Name: [1-[(4-chlorophenyl)methyl]-2,2,4-trimethyl-quinolin-6-yl] 3,5-dimethoxybenzoate Openeye Name: [1-[(4-chlorophenyl)methyl]-2,2,4-trimethyl-6-quinolyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [1-[(4-chlorophenyl)methyl]-2,2,4-trimethyl-6-quinolinyl] ester IUPAC Name: [1-[(4-chlorophenyl)methyl]-2,2,4-trimethylquinolin-6-yl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [1-(4-chlorobenzyl)-2,2,4-trimethyl-6-quinolyl] ester Formula: C28H28ClNO4 MolecularWeight: 477.97922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=C1C=C(C=C2)OC(=O)C3=CC(=CC(=C3)OC)OC)CC4=CC=C(C=C4)Cl)(C)C

Isomeric SMILES

CC1=CC(N(C2=C1C=C(C=C2)OC(=O)C3=CC(=CC(=C3)OC)OC)CC4=CC=C(C=C4)Cl)(C)C

InChI

InChI=1S/C28H28ClNO4/c1-18-16-28(2,3)30(17-19-6-8-21(29)9-7-19)26-11-10-22(15-25(18)26)34-27(31)20-12-23(32-4)14-24(13-20)33-5/h6-16H,17H2,1-5H3