quinolin-8-yl 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: quinolin-8-yl 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: 8-quinolyl 2-(4-benzyloxyphenyl)-3,6,8-trimethyl-quinoline-4-carboxylate CAS Name: 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-3,6,8-trimethyl-cinchoninic acid 8-quinolyl ester Formula: C35H28N2O3 MolecularWeight: 524.60842

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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=CC6=C5N=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=CC6=C5N=CC=C6)C

InChI

InChI=1S/C35H28N2O3/c1-22-19-23(2)32-29(20-22)31(35(38)40-30-13-7-11-26-12-8-18-36-34(26)30)24(3)33(37-32)27-14-16-28(17-15-27)39-21-25-9-5-4-6-10-25/h4-20H,21H2,1-3H3