diphenylcarbamoyl 2-[4-[[5-(hydroxymethyl)-1H-imidazol-2-yl]methyl]phenyl]benzoate

Systemtic Name: diphenylcarbamoyl 2-[4-[[5-(hydroxymethyl)-1H-imidazol-2-yl]methyl]phenyl]benzoate Openeye Name: diphenylcarbamoyl 2-[4-[[5-(hydroxymethyl)-1H-imidazol-2-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[5-(hydroxymethyl)-1H-imidazol-2-yl]methyl]phenyl]benzoic acid [oxo-(N-phenylanilino)methyl] ester IUPAC Name: diphenylcarbamoyl 2-[4-[[5-(hydroxymethyl)-1H-imidazol-2-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[(5-methylol-1H-imidazol-2-yl)methyl]phenyl]benzoic acid diphenylcarbamoyl ester Formula: C31H25N3O4 MolecularWeight: 503.5479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)OC(=O)C3=CC=CC=C3C4=CC=C(C=C4)CC5=NC=C(N5)CO

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)OC(=O)C3=CC=CC=C3C4=CC=C(C=C4)CC5=NC=C(N5)CO

InChI

InChI=1S/C31H25N3O4/c35-21-24-20-32-29(33-24)19-22-15-17-23(18-16-22)27-13-7-8-14-28(27)30(36)38-31(37)34(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-18,20,35H,19,21H2,(H,32,33)