butyl 4-[(7-bromanyl-1-benzoxepin-4-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(7-bromanyl-1-benzoxepin-4-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate CAS Name: 4-[[(7-bromo-1-benzoxepin-4-yl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate Traditional Name: 4-[(7-bromo-1-benzoxepin-4-carbonyl)amino]benzoic acid butyl ester Formula: C22H20BrNO4 MolecularWeight: 442.3025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC=C2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC=C2

InChI

InChI=1S/C22H20BrNO4/c1-2-3-11-28-22(26)15-4-7-19(8-5-15)24-21(25)16-10-12-27-20-9-6-18(23)14-17(20)13-16/h4-10,12-14H,2-3,11H2,1H3,(H,24,25)