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

Systemtic Name: methyl 3-[7-iodanyl-5-oxidanylidene-2-(phenylmethyl)-2,3-dihydro-1,4-benzoxazepin-4-yl]propanoate Openeye Name: methyl 3-(2-benzyl-7-iodo-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoate CAS Name: 3-[7-iodo-5-oxo-2-(phenylmethyl)-2,3-dihydro-1,4-benzoxazepin-4-yl]propanoic acid methyl ester IUPAC Name: methyl 3-(2-benzyl-7-iodo-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)propanoate Traditional Name: 3-(2-benzyl-7-iodo-5-keto-2,3-dihydro-1,4-benzoxazepin-4-yl)propionic acid methyl ester Formula: C20H20INO4 MolecularWeight: 465.28157

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CC(OC2=C(C1=O)C=C(C=C2)I)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCN1CC(OC2=C(C1=O)C=C(C=C2)I)CC3=CC=CC=C3

InChI

InChI=1S/C20H20INO4/c1-25-19(23)9-10-22-13-16(11-14-5-3-2-4-6-14)26-18-8-7-15(21)12-17(18)20(22)24/h2-8,12,16H,9-11,13H2,1H3