ethyl 3-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]carbonyl-(2-methylpropyl)amino]propanoate

Systemtic Name: ethyl 3-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]carbonyl-(2-methylpropyl)amino]propanoate Openeye Name: ethyl 3-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazole-5-carbonyl]-isobutyl-amino]propanoate CAS Name: 3-[[[2-[(4-cyanophenyl)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-methylpropyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazole-5-carbonyl]-(2-methylpropyl)amino]propanoate Traditional Name: 3-[[2-(4-cyanobenzyl)-1-methyl-benzimidazole-5-carbonyl]-isobutyl-amino]propionic acid ethyl ester Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O3/c1-5-33-25(31)12-13-30(17-18(2)3)26(32)21-10-11-23-22(15-21)28-24(29(23)4)14-19-6-8-20(16-27)9-7-19/h6-11,15,18H,5,12-14,17H2,1-4H3