[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(6-oxidanyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(6-oxidanyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(6-hydroxybenzofuran-3-yl)acetate CAS Name: 2-(6-hydroxy-3-benzofuranyl)acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-hydroxybenzofuran-3-yl)acetic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)CC2=COC3=C2C=CC(=C3)O

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)CC2=COC3=C2C=CC(=C3)O

InChI

InChI=1S/C21H21NO5/c1-4-7-22-13(2)8-18(14(22)3)19(24)12-27-21(25)9-15-11-26-20-10-16(23)5-6-17(15)20/h4-6,8,10-11,23H,1,7,9,12H2,2-3H3