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

Systemtic Name: 2-[7-chloranyl-5-(2,3-dimethoxyphenyl)-2-oxidanylidene-1-propyl-5H-4,1-benzoxazepin-3-yl]ethanoic acid Openeye Name: 2-[7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1-propyl-5H-4,1-benzoxazepin-3-yl]acetic acid CAS Name: 2-[7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1-propyl-5H-4,1-benzoxazepin-3-yl]acetic acid IUPAC Name: 2-[7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1-propyl-5H-4,1-benzoxazepin-3-yl]acetic acid Traditional Name: 2-[7-chloro-5-(2,3-dimethoxyphenyl)-2-keto-1-propyl-5H-4,1-benzoxazepin-3-yl]acetic acid Formula: C22H24ClNO6 MolecularWeight: 433.88206

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO6/c1-4-10-24-16-9-8-13(23)11-15(16)20(30-18(22(24)27)12-19(25)26)14-6-5-7-17(28-2)21(14)29-3/h5-9,11,18,20H,4,10,12H2,1-3H3,(H,25,26)