[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-benzo[e][1]benzofuran-1-ylethanoate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-benzo[e][1]benzofuran-1-ylethanoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-benzo[e]benzofuran-1-ylacetate CAS Name: 2-(1-benzo[e]benzofuranyl)acetic 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] 2-benzo[e][1]benzofuran-1-ylacetate Traditional Name: 2-benzo[e]benzofuran-1-ylacetic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C25H23NO4 MolecularWeight: 401.45442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C25H23NO4/c1-4-11-26-16(2)12-21(17(26)3)22(27)15-30-24(28)13-19-14-29-23-10-9-18-7-5-6-8-20(18)25(19)23/h4-10,12,14H,1,11,13,15H2,2-3H3