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

Systemtic Name: 3-[[1-[[4-(aminomethyl)phenyl]methyl]benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-[[4-(aminomethyl)phenyl]methyl]benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-[[4-(aminomethyl)phenyl]methyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-[[4-(aminomethyl)phenyl]methyl]benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-[4-(aminomethyl)benzyl]benzimidazole-5-carbonyl]amino]propionic acid Formula: C19H20N4O3 MolecularWeight: 352.3871

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN)CN2C=NC3=C2C=CC(=C3)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN)CN2C=NC3=C2C=CC(=C3)C(=O)NCCC(=O)O

InChI

InChI=1S/C19H20N4O3/c20-10-13-1-3-14(4-2-13)11-23-12-22-16-9-15(5-6-17(16)23)19(26)21-8-7-18(24)25/h1-6,9,12H,7-8,10-11,20H2,(H,21,26)(H,24,25)