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

Systemtic Name: 7-bromanyl-4-cyclohexyl-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 7-bromo-4-cyclohexyl-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-bromo-4-cyclohexyl-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 7-bromo-4-cyclohexyl-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 7-bromo-4-cyclohexyl-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C19H24BrNO4 MolecularWeight: 410.30216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Br)C(=O)O)C3CCCCC3

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Br)C(=O)O)C3CCCCC3

InChI

InChI=1S/C19H24BrNO4/c1-11(2)17-18(22)21(13-6-4-3-5-7-13)16(19(23)24)14-10-12(20)8-9-15(14)25-17/h8-11,13,16-17H,3-7H2,1-2H3,(H,23,24)