methyl 3-bromanyl-4-[2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 3-bromanyl-4-[2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-bromo-4-[2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethoxy]benzoate CAS Name: 3-bromo-4-[2-[1-(3-methoxypropyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]benzoate Traditional Name: 3-bromo-4-[2-keto-2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]ethoxy]benzoic acid methyl ester Formula: C20H24BrNO5 MolecularWeight: 438.31226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCOC)C)C(=O)COC2=C(C=C(C=C2)C(=O)OC)Br

Isomeric SMILES

CC1=CC(=C(N1CCCOC)C)C(=O)COC2=C(C=C(C=C2)C(=O)OC)Br

InChI

InChI=1S/C20H24BrNO5/c1-13-10-16(14(2)22(13)8-5-9-25-3)18(23)12-27-19-7-6-15(11-17(19)21)20(24)26-4/h6-7,10-11H,5,8-9,12H2,1-4H3