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

Systemtic Name: 2-[8-[2-(1H-benzimidazol-2-yl)ethanoylamino]-2-methyl-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[8-[[2-(1H-benzimidazol-2-yl)acetyl]amino]-2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[8-[[2-(1H-benzimidazol-2-yl)-1-oxoethyl]amino]-2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[8-[[2-(1H-benzimidazol-2-yl)acetyl]amino]-2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[8-[[2-(1H-benzimidazol-2-yl)acetyl]amino]-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)NC(=O)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CN1CC2=C(CC(C1=O)CC(=O)O)C=CC(=C2)NC(=O)CC3=NC4=CC=CC=C4N3

InChI

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