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

Systemtic Name: methyl 4-[[3-[(4-aminophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-benzoate Openeye Name: methyl 4-[[3-[(4-aminophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-benzoate CAS Name: 4-[[3-[(4-aminophenyl)methyl]-4-imidazolyl]methylamino]-2-phenylbenzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(4-aminophenyl)methyl]imidazol-4-yl]methylamino]-2-phenylbenzoate Traditional Name: 4-[[3-(4-aminobenzyl)imidazol-4-yl]methylamino]-2-phenyl-benzoic acid methyl ester Formula: C25H24N4O2 MolecularWeight: 412.48366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2CC3=CC=C(C=C3)N)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2CC3=CC=C(C=C3)N)C4=CC=CC=C4

InChI

InChI=1S/C25H24N4O2/c1-31-25(30)23-12-11-21(13-24(23)19-5-3-2-4-6-19)28-15-22-14-27-17-29(22)16-18-7-9-20(26)10-8-18/h2-14,17,28H,15-16,26H2,1H3