3-[[2-[4-(aminomethyl)phenyl]-3H-benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-[4-(aminomethyl)phenyl]-3H-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-[4-(aminomethyl)phenyl]-3H-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-[4-(aminomethyl)phenyl]-3H-benzimidazol-5-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-[4-(aminomethyl)phenyl]-3H-benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-[4-(aminomethyl)phenyl]-3H-benzimidazole-5-carbonyl]amino]propionic acid Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN)C2=NC3=C(N2)C=C(C=C3)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN)C2=NC3=C(N2)C=C(C=C3)C(=O)NCCC(=O)O

InChI

InChI=1S/C18H18N4O3/c19-10-11-1-3-12(4-2-11)17-21-14-6-5-13(9-15(14)22-17)18(25)20-8-7-16(23)24/h1-6,9H,7-8,10,19H2,(H,20,25)(H,21,22)(H,23,24)