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

Systemtic Name: 2-[7-chloranyl-5-(2-methoxy-3-oxidanyl-phenyl)-1-(2-methylpropyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoic acid Openeye Name: 2-[7-chloro-5-(3-hydroxy-2-methoxy-phenyl)-1-isobutyl-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid CAS Name: 2-[7-chloro-5-(3-hydroxy-2-methoxyphenyl)-1-(2-methylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid IUPAC Name: 2-[7-chloro-5-(3-hydroxy-2-methoxyphenyl)-1-(2-methylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid Traditional Name: 2-[7-chloro-5-(3-hydroxy-2-methoxy-phenyl)-1-isobutyl-2-keto-5H-4,1-benzoxazepin-3-yl]acetic acid Formula: C22H24ClNO6 MolecularWeight: 433.88206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)O)C3=C(C(=CC=C3)O)OC

Isomeric SMILES

CC(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)O)C3=C(C(=CC=C3)O)OC

InChI

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