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

Systemtic Name: methyl 5-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate Openeye Name: methyl 5-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate CAS Name: 5-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-1-oxoprop-2-enoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[(E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate Traditional Name: 5-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acryloyl]oxymethyl]furan-2-carboxylic acid methyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC2=CC=C(O2)C(=O)OC)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC2=CC=C(O2)C(=O)OC)C

InChI

InChI=1S/C20H22N2O5/c1-5-8-22-13(2)9-15(14(22)3)10-16(11-21)19(23)26-12-17-6-7-18(27-17)20(24)25-4/h6-7,9-10H,5,8,12H2,1-4H3/b16-10+