7-bromanyl-3-oxidanylidene-4-(2-phenylcyclopropyl)-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 7-bromanyl-3-oxidanylidene-4-(2-phenylcyclopropyl)-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 7-bromo-2-isopropyl-3-oxo-4-(2-phenylcyclopropyl)-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-bromo-3-oxo-4-(2-phenylcyclopropyl)-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 7-bromo-3-oxo-4-(2-phenylcyclopropyl)-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 7-bromo-2-isopropyl-3-keto-4-(2-phenylcyclopropyl)-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C22H22BrNO4 MolecularWeight: 444.31838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Br)C(=O)O)C3CC3C4=CC=CC=C4

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Br)C(=O)O)C3CC3C4=CC=CC=C4

InChI

InChI=1S/C22H22BrNO4/c1-12(2)20-21(25)24(17-11-15(17)13-6-4-3-5-7-13)19(22(26)27)16-10-14(23)8-9-18(16)28-20/h3-10,12,15,17,19-20H,11H2,1-2H3,(H,26,27)