5-[7-chloranyl-5-(2-methoxy-3-oxidanyl-phenyl)-2-oxidanylidene-5H-4,1-benzoxazepin-1-yl]-4-methyl-pentanoic acid

Systemtic Name: 5-[7-chloranyl-5-(2-methoxy-3-oxidanyl-phenyl)-2-oxidanylidene-5H-4,1-benzoxazepin-1-yl]-4-methyl-pentanoic acid Openeye Name: 5-[7-chloro-5-(3-hydroxy-2-methoxy-phenyl)-2-oxo-5H-4,1-benzoxazepin-1-yl]-4-methyl-pentanoic acid CAS Name: 5-[7-chloro-5-(3-hydroxy-2-methoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-1-yl]-4-methylpentanoic acid IUPAC Name: 5-[7-chloro-5-(3-hydroxy-2-methoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-1-yl]-4-methylpentanoic acid Traditional Name: 5-[7-chloro-5-(3-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(=CC=C3)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO6/c1-13(6-9-20(27)28)11-24-17-8-7-14(23)10-16(17)21(30-12-19(24)26)15-4-3-5-18(25)22(15)29-2/h3-5,7-8,10,13,21,25H,6,9,11-12H2,1-2H3,(H,27,28)