[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-bromanyl-5-methoxy-4-phenylmethoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-bromanyl-5-methoxy-4-phenylmethoxy-benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-benzyloxy-3-bromo-5-methoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-phenylmethoxybenzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-bromo-5-methoxy-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3-bromo-5-methoxy-benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C21H18BrNO5 MolecularWeight: 444.27532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCC(=O)C2=CC=CN2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCC(=O)C2=CC=CN2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C21H18BrNO5/c1-26-19-11-15(21(25)28-13-18(24)17-8-5-9-23-17)10-16(22)20(19)27-12-14-6-3-2-4-7-14/h2-11,23H,12-13H2,1H3