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

Systemtic Name: 2-[7-chloranyl-5-(2-methoxyphenyl)-2-oxidanylidene-1-propyl-5H-4,1-benzoxazepin-3-yl]ethanoic acid Openeye Name: 2-[7-chloro-5-(2-methoxyphenyl)-2-oxo-1-propyl-5H-4,1-benzoxazepin-3-yl]acetic acid CAS Name: 2-[7-chloro-5-(2-methoxyphenyl)-2-oxo-1-propyl-5H-4,1-benzoxazepin-3-yl]acetic acid IUPAC Name: 2-[7-chloro-5-(2-methoxyphenyl)-2-oxo-1-propyl-5H-4,1-benzoxazepin-3-yl]acetic acid Traditional Name: 2-[7-chloro-2-keto-5-(2-methoxyphenyl)-1-propyl-5H-4,1-benzoxazepin-3-yl]acetic acid Formula: C21H22ClNO5 MolecularWeight: 403.85608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)O)C3=CC=CC=C3OC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)O)C3=CC=CC=C3OC

InChI

InChI=1S/C21H22ClNO5/c1-3-10-23-16-9-8-13(22)11-15(16)20(14-6-4-5-7-17(14)27-2)28-18(21(23)26)12-19(24)25/h4-9,11,18,20H,3,10,12H2,1-2H3,(H,24,25)