[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-oxidanyl-benzoate

Systemtic Name: [2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-oxidanyl-benzoate Openeye Name: [2-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-3-yl]-2-oxo-ethyl] 3-bromo-4-hydroxy-5-methoxy-benzoate CAS Name: 3-bromo-4-hydroxy-5-methoxybenzoic acid [2-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 3-bromo-4-hydroxy-5-methoxybenzoate Traditional Name: 3-bromo-4-hydroxy-5-methoxy-benzoic acid [2-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C21H24BrNO6 MolecularWeight: 466.32236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3=CC(=C(C(=C3)Br)O)OC

Isomeric SMILES

CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3=CC(=C(C(=C3)Br)O)OC

InChI

InChI=1S/C21H24BrNO6/c1-12-7-16(13(2)23(12)10-15-5-4-6-28-15)18(24)11-29-21(26)14-8-17(22)20(25)19(9-14)27-3/h7-9,15,25H,4-6,10-11H2,1-3H3