[1-[(4-iodophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(4-iodophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(4-iodophenyl)carbamoyl]propyl 2-(p-tolyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylic acid [1-(4-iodoanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-iodoanilino)-1-oxobutan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(p-tolyl)-3H-benzimidazole-5-carboxylic acid 1-[(4-iodophenyl)carbamoyl]propyl ester Formula: C25H22IN3O3 MolecularWeight: 539.36495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)I)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)I)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H22IN3O3/c1-3-22(24(30)27-19-11-9-18(26)10-12-19)32-25(31)17-8-13-20-21(14-17)29-23(28-20)16-6-4-15(2)5-7-16/h4-14,22H,3H2,1-2H3,(H,27,30)(H,28,29)