propan-2-yl 3-[(7-bromanyl-1-benzoxepin-4-yl)carbonylamino]benzoate

Systemtic Name: propan-2-yl 3-[(7-bromanyl-1-benzoxepin-4-yl)carbonylamino]benzoate Openeye Name: isopropyl 3-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate CAS Name: 3-[[(7-bromo-1-benzoxepin-4-yl)-oxomethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[(7-bromo-1-benzoxepine-4-carbonyl)amino]benzoate Traditional Name: 3-[(7-bromo-1-benzoxepin-4-carbonyl)amino]benzoic acid isopropyl ester Formula: C21H18BrNO4 MolecularWeight: 428.27592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrNO4/c1-13(2)27-21(25)15-4-3-5-18(12-15)23-20(24)14-8-9-26-19-7-6-17(22)11-16(19)10-14/h3-13H,1-2H3,(H,23,24)