5-[7-chloranyl-5-(2-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-5H-4,1-benzoxazepin-1-yl]-4-methyl-pentanoic acid

Systemtic Name: 5-[7-chloranyl-5-(2-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-5H-4,1-benzoxazepin-1-yl]-4-methyl-pentanoic acid Openeye Name: 5-[7-chloro-5-(4-hydroxy-2-methoxy-phenyl)-2-oxo-5H-4,1-benzoxazepin-1-yl]-4-methyl-pentanoic acid CAS Name: 5-[7-chloro-5-(4-hydroxy-2-methoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-1-yl]-4-methylpentanoic acid IUPAC Name: 5-[7-chloro-5-(4-hydroxy-2-methoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-1-yl]-4-methylpentanoic acid Traditional Name: 5-[7-chloro-5-(4-hydroxy-2-methoxy-phenyl)-2-keto-5H-4,1-benzoxazepin-1-yl]-4-methyl-valeric acid Formula: C22H24ClNO6 MolecularWeight: 433.88206

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)CN1C(=O)COC(C2=C1C=CC(=C2)Cl)C3=C(C=C(C=C3)O)OC

Isomeric SMILES

CC(CCC(=O)O)CN1C(=O)COC(C2=C1C=CC(=C2)Cl)C3=C(C=C(C=C3)O)OC

InChI

InChI=1S/C22H24ClNO6/c1-13(3-8-21(27)28)11-24-18-7-4-14(23)9-17(18)22(30-12-20(24)26)16-6-5-15(25)10-19(16)29-2/h4-7,9-10,13,22,25H,3,8,11-12H2,1-2H3,(H,27,28)