methyl 3-(4-chlorophenyl)-3-[3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoylamino]propanoate

Systemtic Name: methyl 3-(4-chlorophenyl)-3-[3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoylamino]propanoate Openeye Name: methyl 3-(4-chlorophenyl)-3-[3-(3-methyl-2-oxo-benzimidazol-1-yl)propanoylamino]propanoate CAS Name: 3-(4-chlorophenyl)-3-[[3-(3-methyl-2-oxo-1-benzimidazolyl)-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-chlorophenyl)-3-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoylamino]propanoate Traditional Name: 3-(4-chlorophenyl)-3-[3-(2-keto-3-methyl-benzimidazol-1-yl)propanoylamino]propionic acid methyl ester Formula: C21H22ClN3O4 MolecularWeight: 415.87008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)CCC(=O)NC(CC(=O)OC)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)CCC(=O)NC(CC(=O)OC)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O4/c1-24-17-5-3-4-6-18(17)25(21(24)28)12-11-19(26)23-16(13-20(27)29-2)14-7-9-15(22)10-8-14/h3-10,16H,11-13H2,1-2H3,(H,23,26)