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

Systemtic Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-oxidanyl-benzoate Openeye Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-bromo-4-hydroxy-5-methoxy-benzoate CAS Name: 3-bromo-4-hydroxy-5-methoxybenzoic acid [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-bromo-4-hydroxy-5-methoxybenzoate Traditional Name: 3-bromo-4-hydroxy-5-methoxy-benzoic acid [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C25H24BrNO7 MolecularWeight: 530.36456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2COC3=CC=CC=C3O2)C)C(=O)COC(=O)C4=CC(=C(C(=C4)Br)O)OC

Isomeric SMILES

CC1=CC(=C(N1CC2COC3=CC=CC=C3O2)C)C(=O)COC(=O)C4=CC(=C(C(=C4)Br)O)OC

InChI

InChI=1S/C25H24BrNO7/c1-14-8-18(15(2)27(14)11-17-12-32-21-6-4-5-7-22(21)34-17)20(28)13-33-25(30)16-9-19(26)24(29)23(10-16)31-3/h4-10,17,29H,11-13H2,1-3H3