[4-(2-methylbutan-2-yl)phenyl] 6,8-dimethyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [4-(2-methylbutan-2-yl)phenyl] 6,8-dimethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [4-(1,1-dimethylpropyl)phenyl] 6,8-dimethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6,8-dimethyl-2-phenyl-4-quinolinecarboxylic acid [4-(2-methylbutan-2-yl)phenyl] ester IUPAC Name: [4-(2-methylbutan-2-yl)phenyl] 6,8-dimethyl-2-phenylquinoline-4-carboxylate Traditional Name: 6,8-dimethyl-2-phenyl-cinchoninic acid (4-tert-amylphenyl) ester Formula: C29H29NO2 MolecularWeight: 423.54606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29NO2/c1-6-29(4,5)22-12-14-23(15-13-22)32-28(31)25-18-26(21-10-8-7-9-11-21)30-27-20(3)16-19(2)17-24(25)27/h7-18H,6H2,1-5H3