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

Systemtic Name: methyl 3-[[1-methyl-2-[4-(methylaminomethyl)phenyl]benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[1-methyl-2-[4-(methylaminomethyl)phenyl]benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[1-methyl-2-[4-(methylaminomethyl)phenyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[1-methyl-2-[4-(methylaminomethyl)phenyl]benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[1-methyl-2-[4-(methylaminomethyl)phenyl]benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC=C(C=C1)C2=NC3=C(N2C)C=CC(=C3)C(=O)NCCC(=O)OC

Isomeric SMILES

CNCC1=CC=C(C=C1)C2=NC3=C(N2C)C=CC(=C3)C(=O)NCCC(=O)OC

InChI

InChI=1S/C21H24N4O3/c1-22-13-14-4-6-15(7-5-14)20-24-17-12-16(8-9-18(17)25(20)2)21(27)23-11-10-19(26)28-3/h4-9,12,22H,10-11,13H2,1-3H3,(H,23,27)