ethyl 4-[[3-[[1-(2-dimethylaminoethyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]methyl]benzoate

Systemtic Name: ethyl 4-[[3-[[1-(2-dimethylaminoethyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]methyl]benzoate Openeye Name: ethyl 4-[[3-[[1-(2-dimethylaminoethyl)benzimidazol-2-yl]methyl]-2-oxo-benzimidazol-1-yl]methyl]benzoate CAS Name: 4-[[3-[[1-(2-dimethylaminoethyl)-2-benzimidazolyl]methyl]-2-oxo-1-benzimidazolyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-[[1-(2-dimethylaminoethyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]benzoate Traditional Name: 4-[[3-[[1-(2-dimethylaminoethyl)benzimidazol-2-yl]methyl]-2-keto-benzimidazol-1-yl]methyl]benzoic acid ethyl ester Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=O)CC4=NC5=CC=CC=C5N4CCN(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=O)CC4=NC5=CC=CC=C5N4CCN(C)C

InChI

InChI=1S/C29H31N5O3/c1-4-37-28(35)22-15-13-21(14-16-22)19-33-25-11-7-8-12-26(25)34(29(33)36)20-27-30-23-9-5-6-10-24(23)32(27)18-17-31(2)3/h5-16H,4,17-20H2,1-3H3