3-[7-iodanyl-5-oxidanylidene-2-(phenylmethyl)-2,3-dihydro-1,4-benzoxazepin-4-yl]propanoic acid

Systemtic Name: 3-[7-iodanyl-5-oxidanylidene-2-(phenylmethyl)-2,3-dihydro-1,4-benzoxazepin-4-yl]propanoic acid Openeye Name: 3-(2-benzyl-7-iodo-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoic acid CAS Name: 3-[7-iodo-5-oxo-2-(phenylmethyl)-2,3-dihydro-1,4-benzoxazepin-4-yl]propanoic acid IUPAC Name: 3-(2-benzyl-7-iodo-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoic acid Traditional Name: 3-(2-benzyl-7-iodo-5-keto-2,3-dihydro-1,4-benzoxazepin-4-yl)propionic acid Formula: C19H18INO4 MolecularWeight: 451.25499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(C=C(C=C2)I)C(=O)N1CCC(=O)O)CC3=CC=CC=C3

Isomeric SMILES

C1C(OC2=C(C=C(C=C2)I)C(=O)N1CCC(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C19H18INO4/c20-14-6-7-17-16(11-14)19(24)21(9-8-18(22)23)12-15(25-17)10-13-4-2-1-3-5-13/h1-7,11,15H,8-10,12H2,(H,22,23)