[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,5-dimethoxyphenyl)-2-propenoic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,5-dimethoxyphenyl)acrylic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C=CC2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)/C=C/C2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C22H25NO5/c1-6-9-23-15(2)10-20(16(23)3)21(24)14-28-22(25)8-7-17-11-18(26-4)13-19(12-17)27-5/h6-8,10-13H,1,9,14H2,2-5H3/b8-7+