3-[[2-(5-azanyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(5-azanyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(1-aminotetralin-6-yl)-1-methyl-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1-methylbenzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(1-aminotetralin-6-yl)-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid Formula: C22H24N4O3 MolecularWeight: 392.45096

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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(CCC4)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3=CC4=C(C=C3)C(CCC4)N

InChI

InChI=1S/C22H24N4O3/c1-26-19-8-6-15(22(29)24-10-9-20(27)28)12-18(19)25-21(26)14-5-7-16-13(11-14)3-2-4-17(16)23/h5-8,11-12,17H,2-4,9-10,23H2,1H3,(H,24,29)(H,27,28)