ethyl 4-[[2-[(4-cyanophenyl)methyl]-1-(2-ethoxy-2-oxidanylidene-ethyl)benzimidazol-5-yl]amino]butanoate

Systemtic Name: ethyl 4-[[2-[(4-cyanophenyl)methyl]-1-(2-ethoxy-2-oxidanylidene-ethyl)benzimidazol-5-yl]amino]butanoate Openeye Name: ethyl 4-[[2-[(4-cyanophenyl)methyl]-1-(2-ethoxy-2-oxo-ethyl)benzimidazol-5-yl]amino]butanoate CAS Name: 4-[[2-[(4-cyanophenyl)methyl]-1-(2-ethoxy-2-oxoethyl)-5-benzimidazolyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-cyanophenyl)methyl]-1-(2-ethoxy-2-oxoethyl)benzimidazol-5-yl]amino]butanoate Traditional Name: 4-[[2-(4-cyanobenzyl)-1-(2-ethoxy-2-keto-ethyl)benzimidazol-5-yl]amino]butyric acid ethyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C#N)CC(=O)OCC

Isomeric SMILES

CCOC(=O)CCCNC1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C#N)CC(=O)OCC

InChI

InChI=1S/C25H28N4O4/c1-3-32-24(30)6-5-13-27-20-11-12-22-21(15-20)28-23(29(22)17-25(31)33-4-2)14-18-7-9-19(16-26)10-8-18/h7-12,15,27H,3-6,13-14,17H2,1-2H3