ethyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]oxymethyl]coumarilic acid ethyl ester Formula: C22H18O7 MolecularWeight: 394.37412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H18O7/c1-2-25-22(24)21-16(15-5-3-4-6-17(15)29-21)12-26-20(23)10-8-14-7-9-18-19(11-14)28-13-27-18/h3-11H,2,12-13H2,1H3/b10-8+