methyl 2-[[3-(1-azanylethenyl)phenyl]methyl]-3-(3H-benzimidazol-5-ylcarbonylamino)butanoate

Systemtic Name: methyl 2-[[3-(1-azanylethenyl)phenyl]methyl]-3-(3H-benzimidazol-5-ylcarbonylamino)butanoate Openeye Name: methyl 2-[[3-(1-aminovinyl)phenyl]methyl]-3-(3H-benzimidazole-5-carbonylamino)butanoate CAS Name: 2-[[3-(1-aminoethenyl)phenyl]methyl]-3-[[3H-benzimidazol-5-yl(oxo)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[[3-(1-aminoethenyl)phenyl]methyl]-3-(3H-benzimidazole-5-carbonylamino)butanoate Traditional Name: 2-[3-(1-aminovinyl)benzyl]-3-(3H-benzimidazole-5-carbonylamino)butyric acid methyl ester Formula: C22H24N4O3 MolecularWeight: 392.45096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3/c1-13(23)16-6-4-5-15(9-16)10-18(22(28)29-3)14(2)26-21(27)17-7-8-19-20(11-17)25-12-24-19/h4-9,11-12,14,18H,1,10,23H2,2-3H3,(H,24,25)(H,26,27)