methyl 4-[[(4-cyanophenyl)methyl-(3-phenylpropyl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(4-cyanophenyl)methyl-(3-phenylpropyl)amino]methyl]benzoate Openeye Name: methyl 4-[[(4-cyanophenyl)methyl-(3-phenylpropyl)amino]methyl]benzoate CAS Name: 4-[[(4-cyanophenyl)methyl-(3-phenylpropyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-cyanophenyl)methyl-(3-phenylpropyl)amino]methyl]benzoate Traditional Name: 4-[[(4-cyanobenzyl)-(3-phenylpropyl)amino]methyl]benzoic acid methyl ester Formula: C26H26N2O2 MolecularWeight: 398.49684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(CCCC2=CC=CC=C2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(CCCC2=CC=CC=C2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H26N2O2/c1-30-26(29)25-15-13-24(14-16-25)20-28(17-5-8-21-6-3-2-4-7-21)19-23-11-9-22(18-27)10-12-23/h2-4,6-7,9-16H,5,8,17,19-20H2,1H3