methyl 4-[[4-(cyanomethyl)-2-phenethyl-phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[4-(cyanomethyl)-2-phenethyl-phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-(cyanomethyl)-2-phenethyl-phenoxy]methyl]benzoate CAS Name: 4-[[4-(cyanomethyl)-2-phenethylphenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(cyanomethyl)-2-phenethylphenoxy]methyl]benzoate Traditional Name: 4-[[4-(cyanomethyl)-2-phenethyl-phenoxy]methyl]benzoic acid methyl ester Formula: C25H23NO3 MolecularWeight: 385.45502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=C(C=C(C=C2)CC#N)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=C(C=C(C=C2)CC#N)CCC3=CC=CC=C3

InChI

InChI=1S/C25H23NO3/c1-28-25(27)22-11-8-21(9-12-22)18-29-24-14-10-20(15-16-26)17-23(24)13-7-19-5-3-2-4-6-19/h2-6,8-12,14,17H,7,13,15,18H2,1H3