4-[[2-[4-(aminomethyl)phenyl]-1-methyl-benzimidazol-5-yl]carbonylamino]butanoic acid

Systemtic Name: 4-[[2-[4-(aminomethyl)phenyl]-1-methyl-benzimidazol-5-yl]carbonylamino]butanoic acid Openeye Name: 4-[[2-[4-(aminomethyl)phenyl]-1-methyl-benzimidazole-5-carbonyl]amino]butanoic acid CAS Name: 4-[[[2-[4-(aminomethyl)phenyl]-1-methyl-5-benzimidazolyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[2-[4-(aminomethyl)phenyl]-1-methylbenzimidazole-5-carbonyl]amino]butanoic acid Traditional Name: 4-[[2-[4-(aminomethyl)phenyl]-1-methyl-benzimidazole-5-carbonyl]amino]butyric acid Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCCC(=O)O)N=C1C3=CC=C(C=C3)CN

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCCC(=O)O)N=C1C3=CC=C(C=C3)CN

InChI

InChI=1S/C20H22N4O3/c1-24-17-9-8-15(20(27)22-10-2-3-18(25)26)11-16(17)23-19(24)14-6-4-13(12-21)5-7-14/h4-9,11H,2-3,10,12,21H2,1H3,(H,22,27)(H,25,26)