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

Systemtic Name: 5-[7-chloranyl-5-(2-methoxyphenyl)-2-oxidanylidene-5H-4,1-benzoxazepin-1-yl]-4-methyl-pentanoic acid Openeye Name: 5-[7-chloro-5-(2-methoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-1-yl]-4-methyl-pentanoic acid CAS Name: 5-[7-chloro-5-(2-methoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-1-yl]-4-methylpentanoic acid IUPAC Name: 5-[7-chloro-5-(2-methoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-1-yl]-4-methylpentanoic acid Traditional Name: 5-[7-chloro-2-keto-5-(2-methoxyphenyl)-5H-4,1-benzoxazepin-1-yl]-4-methyl-valeric acid Formula: C22H24ClNO5 MolecularWeight: 417.88266

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)CN1C(=O)COC(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3OC

Isomeric SMILES

CC(CCC(=O)O)CN1C(=O)COC(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3OC

InChI

InChI=1S/C22H24ClNO5/c1-14(7-10-21(26)27)12-24-18-9-8-15(23)11-17(18)22(29-13-20(24)25)16-5-3-4-6-19(16)28-2/h3-6,8-9,11,14,22H,7,10,12-13H2,1-2H3,(H,26,27)