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

Systemtic Name: methyl 3-[4-[[3-[(4-nitrophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-phenyl]benzoate Openeye Name: methyl 3-[4-[[3-[(4-nitrophenyl)methyl]imidazol-4-yl]methylamino]-2-phenyl-phenyl]benzoate CAS Name: 3-[4-[[3-[(4-nitrophenyl)methyl]-4-imidazolyl]methylamino]-2-phenylphenyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[[3-[(4-nitrophenyl)methyl]imidazol-4-yl]methylamino]-2-phenylphenyl]benzoate Traditional Name: 3-[4-[[3-(4-nitrobenzyl)imidazol-4-yl]methylamino]-2-phenyl-phenyl]benzoic acid methyl ester Formula: C31H26N4O4 MolecularWeight: 518.56254

Click to see the large picture

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)[N+](=O)[O-])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)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C31H26N4O4/c1-39-31(36)25-9-5-8-24(16-25)29-15-12-26(17-30(29)23-6-3-2-4-7-23)33-19-28-18-32-21-34(28)20-22-10-13-27(14-11-22)35(37)38/h2-18,21,33H,19-20H2,1H3