[1-oxidanylidene-1-(4-phenylmethoxyphenyl)propan-2-yl] 3,7,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(4-phenylmethoxyphenyl)propan-2-yl] 3,7,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-benzyloxyphenyl)-1-methyl-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-3,7,8-trimethyl-quinoline-4-carboxylate CAS Name: 3,7,8-trimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [1-oxo-1-(4-phenylmethoxyphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylmethoxyphenyl)propan-2-yl] 3,7,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-3,7,8-trimethyl-cinchoninic acid [2-(4-benzoxyphenyl)-2-keto-1-methyl-ethyl] ester Formula: C42H37NO5 MolecularWeight: 635.74688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C(=C2C=C1)C(=O)OC(C)C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C5=CC=C(C=C5)OCC6=CC=CC=C6)C

Isomeric SMILES

CC1=C(C2=NC(=C(C(=C2C=C1)C(=O)OC(C)C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C5=CC=C(C=C5)OCC6=CC=CC=C6)C

InChI

InChI=1S/C42H37NO5/c1-27-15-24-37-38(42(45)48-30(4)41(44)34-18-22-36(23-19-34)47-26-32-13-9-6-10-14-32)29(3)39(43-40(37)28(27)2)33-16-20-35(21-17-33)46-25-31-11-7-5-8-12-31/h5-24,30H,25-26H2,1-4H3