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

Systemtic Name: 2-[7-chloranyl-5-(2-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-1-propyl-5H-4,1-benzoxazepin-3-yl]ethanoic acid Openeye Name: 2-[7-chloro-5-(4-hydroxy-2-methoxy-phenyl)-2-oxo-1-propyl-5H-4,1-benzoxazepin-3-yl]acetic acid CAS Name: 2-[7-chloro-5-(4-hydroxy-2-methoxyphenyl)-2-oxo-1-propyl-5H-4,1-benzoxazepin-3-yl]acetic acid IUPAC Name: 2-[7-chloro-5-(4-hydroxy-2-methoxyphenyl)-2-oxo-1-propyl-5H-4,1-benzoxazepin-3-yl]acetic acid Traditional Name: 2-[7-chloro-5-(4-hydroxy-2-methoxy-phenyl)-2-keto-1-propyl-5H-4,1-benzoxazepin-3-yl]acetic acid Formula: C21H22ClNO6 MolecularWeight: 419.85548

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)O)C3=C(C=C(C=C3)O)OC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)O)C3=C(C=C(C=C3)O)OC

InChI

InChI=1S/C21H22ClNO6/c1-3-8-23-16-7-4-12(22)9-15(16)20(29-18(21(23)27)11-19(25)26)14-6-5-13(24)10-17(14)28-2/h4-7,9-10,18,20,24H,3,8,11H2,1-2H3,(H,25,26)