methyl 6-(2-butoxycarbonylphenyl)carbonyl-1H-benzimidazole-2-carboxylate

Systemtic Name: methyl 6-(2-butoxycarbonylphenyl)carbonyl-1H-benzimidazole-2-carboxylate Openeye Name: methyl 6-(2-butoxycarbonylbenzoyl)-1H-benzimidazole-2-carboxylate CAS Name: 6-[[2-[butoxy(oxo)methyl]phenyl]-oxomethyl]-1H-benzimidazole-2-carboxylic acid methyl ester IUPAC Name: methyl 6-(2-butoxycarbonylbenzoyl)-1H-benzimidazole-2-carboxylate Traditional Name: 6-(2-butoxycarbonylbenzoyl)-1H-benzimidazole-2-carboxylic acid methyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1C(=O)C2=CC3=C(C=C2)N=C(N3)C(=O)OC

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1C(=O)C2=CC3=C(C=C2)N=C(N3)C(=O)OC

InChI

InChI=1S/C21H20N2O5/c1-3-4-11-28-20(25)15-8-6-5-7-14(15)18(24)13-9-10-16-17(12-13)23-19(22-16)21(26)27-2/h5-10,12H,3-4,11H2,1-2H3,(H,22,23)