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

Systemtic Name: ethyl 2-methyl-4-[2-[(2-oxidanylidene-3-prop-1-en-2-yl-benzimidazol-1-yl)methyl]benzimidazol-1-yl]butanoate Openeye Name: ethyl 4-[2-[(3-isopropenyl-2-oxo-benzimidazol-1-yl)methyl]benzimidazol-1-yl]-2-methyl-butanoate CAS Name: 2-methyl-4-[2-[[3-(1-methylethenyl)-2-oxo-1-benzimidazolyl]methyl]-1-benzimidazolyl]butanoic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[2-[(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]butanoate Traditional Name: 4-[2-[(3-isopropenyl-2-keto-benzimidazol-1-yl)methyl]benzimidazol-1-yl]-2-methyl-butyric acid ethyl ester Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)C(=C)C

Isomeric SMILES

CCOC(=O)C(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)C(=C)C

InChI

InChI=1S/C25H28N4O3/c1-5-32-24(30)18(4)14-15-27-20-11-7-6-10-19(20)26-23(27)16-28-21-12-8-9-13-22(21)29(17(2)3)25(28)31/h6-13,18H,2,5,14-16H2,1,3-4H3