ethyl 3-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]oxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]oxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]oxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-1-oxoprop-2-enoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoyl]oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acryloyl]oxymethyl]coumarilic acid ethyl ester Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC2=C(OC3=CC=CC=C32)C(=O)OCC)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC2=C(OC3=CC=CC=C32)C(=O)OCC)C

InChI

InChI=1S/C25H26N2O5/c1-5-11-27-16(3)12-18(17(27)4)13-19(14-26)24(28)31-15-21-20-9-7-8-10-22(20)32-23(21)25(29)30-6-2/h7-10,12-13H,5-6,11,15H2,1-4H3/b19-13+