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

Systemtic Name: 5-[7-chloranyl-5-(2,4-dimethoxyphenyl)-2-oxidanylidene-5H-4,1-benzoxazepin-1-yl]-4-methyl-pentanoic acid Openeye Name: 5-[7-chloro-5-(2,4-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-1-yl]-4-methyl-pentanoic acid CAS Name: 5-[7-chloro-5-(2,4-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-1-yl]-4-methylpentanoic acid IUPAC Name: 5-[7-chloro-5-(2,4-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-1-yl]-4-methylpentanoic acid Traditional Name: 5-[7-chloro-5-(2,4-dimethoxyphenyl)-2-keto-5H-4,1-benzoxazepin-1-yl]-4-methyl-valeric acid Formula: C23H26ClNO6 MolecularWeight: 447.90864

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClNO6/c1-14(4-9-22(27)28)12-25-19-8-5-15(24)10-18(19)23(31-13-21(25)26)17-7-6-16(29-2)11-20(17)30-3/h5-8,10-11,14,23H,4,9,12-13H2,1-3H3,(H,27,28)