ethyl 4-[3-(2-methyl-1H-benzimidazol-4-yl)-2-oxidanylidene-benzimidazol-1-yl]butanoate

Systemtic Name: ethyl 4-[3-(2-methyl-1H-benzimidazol-4-yl)-2-oxidanylidene-benzimidazol-1-yl]butanoate Openeye Name: ethyl 4-[3-(2-methyl-1H-benzimidazol-4-yl)-2-oxo-benzimidazol-1-yl]butanoate CAS Name: 4-[3-(2-methyl-1H-benzimidazol-4-yl)-2-oxo-1-benzimidazolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-methyl-1H-benzimidazol-4-yl)-2-oxobenzimidazol-1-yl]butanoate Traditional Name: 4-[2-keto-3-(2-methyl-1H-benzimidazol-4-yl)benzimidazol-1-yl]butyric acid ethyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C2=CC=CC=C2N(C1=O)C3=CC=CC4=C3N=C(N4)C

Isomeric SMILES

CCOC(=O)CCCN1C2=CC=CC=C2N(C1=O)C3=CC=CC4=C3N=C(N4)C

InChI

InChI=1S/C21H22N4O3/c1-3-28-19(26)12-7-13-24-16-9-4-5-10-17(16)25(21(24)27)18-11-6-8-15-20(18)23-14(2)22-15/h4-6,8-11H,3,7,12-13H2,1-2H3,(H,22,23)