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

Systemtic Name: methyl 4-[[3-[(2-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-benzoate Openeye Name: methyl 4-[[3-[(2-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-benzoate CAS Name: 4-[[3-[(2-cyanophenyl)methyl]-4-imidazolyl]methylamino]-2-phenylbenzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(2-cyanophenyl)methyl]imidazol-4-yl]methylamino]-2-phenylbenzoate Traditional Name: 4-[[3-(2-cyanobenzyl)imidazol-4-yl]methylamino]-2-phenyl-benzoic acid methyl ester Formula: C26H22N4O2 MolecularWeight: 422.47848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2CC3=CC=CC=C3C#N)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2CC3=CC=CC=C3C#N)C4=CC=CC=C4

InChI

InChI=1S/C26H22N4O2/c1-32-26(31)24-12-11-22(13-25(24)19-7-3-2-4-8-19)29-16-23-15-28-18-30(23)17-21-10-6-5-9-20(21)14-27/h2-13,15,18,29H,16-17H2,1H3