(2-bromanyl-4-fluoranyl-phenyl)methyl 2-(cyclopentylcarbonylamino)-4,5-dimethoxy-benzoate

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl)methyl 2-(cyclopentylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: (2-bromo-4-fluoro-phenyl)methyl 2-(cyclopentanecarbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[cyclopentyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid (2-bromo-4-fluorophenyl)methyl ester IUPAC Name: (2-bromo-4-fluorophenyl)methyl 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(cyclopentanecarbonylamino)-4,5-dimethoxy-benzoic acid (2-bromo-4-fluoro-benzyl) ester Formula: C22H23BrFNO5 MolecularWeight: 480.324123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=C(C=C(C=C2)F)Br)NC(=O)C3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=C(C=C(C=C2)F)Br)NC(=O)C3CCCC3)OC

InChI

InChI=1S/C22H23BrFNO5/c1-28-19-10-16(22(27)30-12-14-7-8-15(24)9-17(14)23)18(11-20(19)29-2)25-21(26)13-5-3-4-6-13/h7-11,13H,3-6,12H2,1-2H3,(H,25,26)