butyl 3-[(7-bromanyl-1-benzoxepin-4-yl)carbonylamino]benzoate

Systemtic Name: butyl 3-[(7-bromanyl-1-benzoxepin-4-yl)carbonylamino]benzoate Openeye Name: butyl 3-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate CAS Name: 3-[[(7-bromo-1-benzoxepin-4-yl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate Traditional Name: 3-[(7-bromo-1-benzoxepin-4-carbonyl)amino]benzoic acid butyl ester Formula: C22H20BrNO4 MolecularWeight: 442.3025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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