methyl 3-[4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-phenyl]benzoate

Systemtic Name: methyl 3-[4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-phenyl]benzoate Openeye Name: methyl 3-[4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-phenyl]benzoate CAS Name: 3-[4-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methylamino]-2-phenylphenyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenylphenyl]benzoate Traditional Name: 3-[4-[[3-(4-cyanobenzyl)imidazol-4-yl]methylamino]-2-phenyl-phenyl]benzoic acid methyl ester Formula: C32H26N4O2 MolecularWeight: 498.57444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C2=C(C=C(C=C2)NCC3=CN=CN3CC4=CC=C(C=C4)C#N)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C2=C(C=C(C=C2)NCC3=CN=CN3CC4=CC=C(C=C4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C32H26N4O2/c1-38-32(37)27-9-5-8-26(16-27)30-15-14-28(17-31(30)25-6-3-2-4-7-25)35-20-29-19-34-22-36(29)21-24-12-10-23(18-33)11-13-24/h2-17,19,22,35H,20-21H2,1H3