[4-(2-cyanophenyl)phenyl]methyl 2,4,5-trimethoxybenzoate

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl 2,4,5-trimethoxybenzoate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [4-(2-cyanophenyl)benzyl] ester Formula: C24H21NO5 MolecularWeight: 403.42724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N)OC)OC

InChI

InChI=1S/C24H21NO5/c1-27-21-13-23(29-3)22(28-2)12-20(21)24(26)30-15-16-8-10-17(11-9-16)19-7-5-4-6-18(19)14-25/h4-13H,15H2,1-3H3