3-[7-(2-azanyl-1-methyl-benzimidazol-4-yl)oxy-1-oxidanylidene-4,5-dihydro-3H-2-benzazepin-2-yl]propanoic acid

Systemtic Name: 3-[7-(2-azanyl-1-methyl-benzimidazol-4-yl)oxy-1-oxidanylidene-4,5-dihydro-3H-2-benzazepin-2-yl]propanoic acid Openeye Name: 3-[7-(2-amino-1-methyl-benzimidazol-4-yl)oxy-1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl]propanoic acid CAS Name: 3-[7-[(2-amino-1-methyl-4-benzimidazolyl)oxy]-1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl]propanoic acid IUPAC Name: 3-[7-(2-amino-1-methylbenzimidazol-4-yl)oxy-1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl]propanoic acid Traditional Name: 3-[7-(2-amino-1-methyl-benzimidazol-4-yl)oxy-1-keto-4,5-dihydro-3H-2-benzazepin-2-yl]propionic acid Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=CC=C2)OC3=CC4=C(C=C3)C(=O)N(CCC4)CCC(=O)O)N=C1N

Isomeric SMILES

CN1C2=C(C(=CC=C2)OC3=CC4=C(C=C3)C(=O)N(CCC4)CCC(=O)O)N=C1N

InChI

InChI=1S/C21H22N4O4/c1-24-16-5-2-6-17(19(16)23-21(24)22)29-14-7-8-15-13(12-14)4-3-10-25(20(15)28)11-9-18(26)27/h2,5-8,12H,3-4,9-11H2,1H3,(H2,22,23)(H,26,27)