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

Systemtic Name: 3-[[1-methyl-2-[4-(methylaminomethyl)phenyl]benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-methyl-2-[4-(methylaminomethyl)phenyl]benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-methyl-2-[4-(methylaminomethyl)phenyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-methyl-2-[4-(methylaminomethyl)phenyl]benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-methyl-2-[4-(methylaminomethyl)phenyl]benzimidazole-5-carbonyl]amino]propionic acid Formula: C20H22N4O3 MolecularWeight: 366.41368

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3/c1-21-12-13-3-5-14(6-4-13)19-23-16-11-15(7-8-17(16)24(19)2)20(27)22-10-9-18(25)26/h3-8,11,21H,9-10,12H2,1-2H3,(H,22,27)(H,25,26)