phenacyl (E)-3-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate

Systemtic Name: phenacyl (E)-3-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate Openeye Name: phenacyl (E)-3-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate CAS Name: (E)-3-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-propenoic acid phenacyl ester IUPAC Name: phenacyl (E)-3-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid phenacyl ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C=CC(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)/C=C/C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO4/c1-16-13-19(17(2)23(16)14-20-9-6-12-26-20)10-11-22(25)27-15-21(24)18-7-4-3-5-8-18/h3-13H,14-15H2,1-2H3/b11-10+