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

Systemtic Name: [4-(2-methylbutan-2-yl)phenyl] 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [4-(1,1-dimethylpropyl)phenyl] 2-(4-benzyloxyphenyl)-3,6,8-trimethyl-quinoline-4-carboxylate CAS Name: 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [4-(2-methylbutan-2-yl)phenyl] ester IUPAC Name: [4-(2-methylbutan-2-yl)phenyl] 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-3,6,8-trimethyl-cinchoninic acid (4-tert-amylphenyl) ester Formula: C37H37NO3 MolecularWeight: 543.69458

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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)OCC5=CC=CC=C5)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)OCC5=CC=CC=C5)C

InChI

InChI=1S/C37H37NO3/c1-7-37(5,6)29-15-19-31(20-16-29)41-36(39)33-26(4)35(38-34-25(3)21-24(2)22-32(33)34)28-13-17-30(18-14-28)40-23-27-11-9-8-10-12-27/h8-22H,7,23H2,1-6H3