[4-(dimethylaminomethyl)-3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [4-(dimethylaminomethyl)-3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-(dimethylaminomethyl)-3-ethoxycarbonyl-2-phenyl-benzofuran-5-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-(dimethylaminomethyl)-3-ethoxycarbonyl-2-phenyl-5-benzofuranyl] ester IUPAC Name: [4-(dimethylaminomethyl)-3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [3-carbethoxy-4-(dimethylaminomethyl)-2-phenyl-benzofuran-5-yl] ester Formula: C28H25NO7 MolecularWeight: 487.5006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4)CN(C)C)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4)CN(C)C)C5=CC=CC=C5

InChI

InChI=1S/C28H25NO7/c1-4-32-28(31)25-24-19(15-29(2)3)20(12-13-22(24)35-26(25)17-8-6-5-7-9-17)36-27(30)18-10-11-21-23(14-18)34-16-33-21/h5-14H,4,15-16H2,1-3H3