3-[[2-(1-azanyl-2,3-dihydro-1H-inden-5-yl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(1-azanyl-2,3-dihydro-1H-inden-5-yl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(1-aminoindan-5-yl)-1-methyl-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(1-amino-2,3-dihydro-1H-inden-5-yl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(1-amino-2,3-dihydro-1H-inden-5-yl)-1-methylbenzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(1-aminoindan-5-yl)-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3=CC4=C(C=C3)C(CC4)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3=CC4=C(C=C3)C(CC4)N

InChI

InChI=1S/C21H22N4O3/c1-25-18-7-4-14(21(28)23-9-8-19(26)27)11-17(18)24-20(25)13-2-5-15-12(10-13)3-6-16(15)22/h2,4-5,7,10-11,16H,3,6,8-9,22H2,1H3,(H,23,28)(H,26,27)