methyl 3-(3H-benzimidazol-5-ylcarbonylamino)-2-[(3-cyanophenyl)methyl]butanoate

Systemtic Name: methyl 3-(3H-benzimidazol-5-ylcarbonylamino)-2-[(3-cyanophenyl)methyl]butanoate Openeye Name: methyl 3-(3H-benzimidazole-5-carbonylamino)-2-[(3-cyanophenyl)methyl]butanoate CAS Name: 3-[[3H-benzimidazol-5-yl(oxo)methyl]amino]-2-[(3-cyanophenyl)methyl]butanoic acid methyl ester IUPAC Name: methyl 3-(3H-benzimidazole-5-carbonylamino)-2-[(3-cyanophenyl)methyl]butanoate Traditional Name: 3-(3H-benzimidazole-5-carbonylamino)-2-(3-cyanobenzyl)butyric acid methyl ester Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C#N)C(=O)OC)NC(=O)C2=CC3=C(C=C2)N=CN3

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C#N)C(=O)OC)NC(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C21H20N4O3/c1-13(25-20(26)16-6-7-18-19(10-16)24-12-23-18)17(21(27)28-2)9-14-4-3-5-15(8-14)11-22/h3-8,10,12-13,17H,9H2,1-2H3,(H,23,24)(H,25,26)