methyl 3-azanyl-2-[[4-(2-cyanophenyl)phenyl]methyl]benzoate

Systemtic Name: methyl 3-azanyl-2-[[4-(2-cyanophenyl)phenyl]methyl]benzoate Openeye Name: methyl 3-amino-2-[[4-(2-cyanophenyl)phenyl]methyl]benzoate CAS Name: 3-amino-2-[[4-(2-cyanophenyl)phenyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-amino-2-[[4-(2-cyanophenyl)phenyl]methyl]benzoate Traditional Name: 3-amino-2-[4-(2-cyanophenyl)benzyl]benzoic acid methyl ester Formula: C22H18N2O2 MolecularWeight: 342.39052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)N)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)N)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H18N2O2/c1-26-22(25)19-7-4-8-21(24)20(19)13-15-9-11-16(12-10-15)18-6-3-2-5-17(18)14-23/h2-12H,13,24H2,1H3