methyl 3-[[2-[4-(3-azanyl-2-methyl-3-oxidanylidene-propyl)phenyl]-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-[4-(3-azanyl-2-methyl-3-oxidanylidene-propyl)phenyl]-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-[4-(3-amino-2-methyl-3-oxo-propyl)phenyl]-1-methyl-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-[4-(3-amino-2-methyl-3-oxopropyl)phenyl]-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(3-amino-2-methyl-3-oxopropyl)phenyl]-1-methylbenzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-[4-(3-amino-3-keto-2-methyl-propyl)phenyl]-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C2=NC3=C(N2C)C=CC(=C3)C(=O)NCCC(=O)OC)C(=O)N

Isomeric SMILES

CC(CC1=CC=C(C=C1)C2=NC3=C(N2C)C=CC(=C3)C(=O)NCCC(=O)OC)C(=O)N

InChI

InChI=1S/C23H26N4O4/c1-14(21(24)29)12-15-4-6-16(7-5-15)22-26-18-13-17(8-9-19(18)27(22)2)23(30)25-11-10-20(28)31-3/h4-9,13-14H,10-12H2,1-3H3,(H2,24,29)(H,25,30)