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

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

Isomeric SMILES

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

InChI

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