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

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

Click to see the large picture

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=C(C=C3)O)OC

Isomeric SMILES

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

InChI

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