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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C2=NC3=C(N2C)C=CC(=C3)C(=O)NCCC(=O)O)N

Isomeric SMILES

CC(CC1=CC=C(C=C1)C2=NC3=C(N2C)C=CC(=C3)C(=O)NCCC(=O)O)N

InChI

InChI=1S/C21H24N4O3/c1-13(22)11-14-3-5-15(6-4-14)20-24-17-12-16(7-8-18(17)25(20)2)21(28)23-10-9-19(26)27/h3-8,12-13H,9-11,22H2,1-2H3,(H,23,28)(H,26,27)