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

Systemtic Name: (4-ethanoylphenyl) (E)-3-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate Openeye Name: (4-acetylphenyl) (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 (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) (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 (4-acetylphenyl) 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)OC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)/C=C/C(=O)OC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H21NO4/c1-15-13-19(16(2)23(15)14-21-5-4-12-26-21)8-11-22(25)27-20-9-6-18(7-10-20)17(3)24/h4-13H,14H2,1-3H3/b11-8+