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

Systemtic Name: [4-(phenylmethyl)phenyl] 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: (4-benzylphenyl) 2-(4-benzyloxyphenyl)-3,6,8-trimethyl-quinoline-4-carboxylate CAS Name: 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [4-(phenylmethyl)phenyl] ester IUPAC Name: (4-benzylphenyl) 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-3,6,8-trimethyl-cinchoninic acid (4-benzylphenyl) ester Formula: C39H33NO3 MolecularWeight: 563.68422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OC5=CC=C(C=C5)CC6=CC=CC=C6)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OC5=CC=C(C=C5)CC6=CC=CC=C6)C

InChI

InChI=1S/C39H33NO3/c1-26-22-27(2)37-35(23-26)36(39(41)43-34-18-14-30(15-19-34)24-29-10-6-4-7-11-29)28(3)38(40-37)32-16-20-33(21-17-32)42-25-31-12-8-5-9-13-31/h4-23H,24-25H2,1-3H3