[4-(2-methylbutan-2-yl)phenyl] 2-(4-methoxyphenyl)-3,6,8-trimethyl-quinoline-4-carboxylate

Systemtic Name: [4-(2-methylbutan-2-yl)phenyl] 2-(4-methoxyphenyl)-3,6,8-trimethyl-quinoline-4-carboxylate Openeye Name: [4-(1,1-dimethylpropyl)phenyl] 2-(4-methoxyphenyl)-3,6,8-trimethyl-quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-3,6,8-trimethyl-4-quinolinecarboxylic acid [4-(2-methylbutan-2-yl)phenyl] ester IUPAC Name: [4-(2-methylbutan-2-yl)phenyl] 2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)-3,6,8-trimethyl-cinchoninic acid (4-tert-amylphenyl) ester Formula: C31H33NO3 MolecularWeight: 467.59862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC(=O)C2=C(C(=NC3=C(C=C(C=C23)C)C)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC(=O)C2=C(C(=NC3=C(C=C(C=C23)C)C)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C31H33NO3/c1-8-31(5,6)23-11-15-25(16-12-23)35-30(33)27-21(4)29(22-9-13-24(34-7)14-10-22)32-28-20(3)17-19(2)18-26(27)28/h9-18H,8H2,1-7H3