2-[8-(1H-benzimidazol-2-ylmethylcarbamoyl)-2-methyl-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid

Systemtic Name: 2-[8-(1H-benzimidazol-2-ylmethylcarbamoyl)-2-methyl-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[8-(1H-benzimidazol-2-ylmethylcarbamoyl)-2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[8-[(1H-benzimidazol-2-ylmethylamino)-oxomethyl]-2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[8-(1H-benzimidazol-2-ylmethylcarbamoyl)-2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[8-(1H-benzimidazol-2-ylmethylcarbamoyl)-3-keto-2-methyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(CC(C1=O)CC(=O)O)C=CC(=C2)C(=O)NCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CN1CC2=C(CC(C1=O)CC(=O)O)C=CC(=C2)C(=O)NCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H22N4O4/c1-26-12-16-9-14(7-6-13(16)8-15(22(26)30)10-20(27)28)21(29)23-11-19-24-17-4-2-3-5-18(17)25-19/h2-7,9,15H,8,10-12H2,1H3,(H,23,29)(H,24,25)(H,27,28)