4-[[3,5-bis(chloranyl)phenyl]methyl]-8-methoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 4-[[3,5-bis(chloranyl)phenyl]methyl]-8-methoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 4-[(3,5-dichlorophenyl)methyl]-2-isopropyl-8-methoxy-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 4-[(3,5-dichlorophenyl)methyl]-8-methoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 4-[(3,5-dichlorophenyl)methyl]-8-methoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 4-(3,5-dichlorobenzyl)-2-isopropyl-3-keto-8-methoxy-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C21H21Cl2NO5 MolecularWeight: 438.30114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=C(O1)C=C(C=C2)OC)C(=O)O)CC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=C(O1)C=C(C=C2)OC)C(=O)O)CC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C21H21Cl2NO5/c1-11(2)19-20(25)24(10-12-6-13(22)8-14(23)7-12)18(21(26)27)16-5-4-15(28-3)9-17(16)29-19/h4-9,11,18-19H,10H2,1-3H3,(H,26,27)