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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC)N1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)C(=C)C

Isomeric SMILES

CCCC(C(=O)OCC)N1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)C(=C)C

InChI

InChI=1S/C25H28N4O3/c1-5-11-22(24(30)32-6-2)29-19-13-8-7-12-18(19)26-23(29)16-27-20-14-9-10-15-21(20)28(17(3)4)25(27)31/h7-10,12-15,22H,3,5-6,11,16H2,1-2,4H3