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

Systemtic Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (E)-3-(2-fluorophenyl)prop-2-enoate Openeye Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl] (E)-3-(2-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(2-fluorophenyl)-2-propenoic acid [2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(2-fluorophenyl)acrylic acid [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C25H24FNO3 MolecularWeight: 405.461363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)C=CC3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)/C=C/C3=CC=CC=C3F

InChI

InChI=1S/C25H24FNO3/c1-18-16-22(19(2)27(18)15-14-20-8-4-3-5-9-20)24(28)17-30-25(29)13-12-21-10-6-7-11-23(21)26/h3-13,16H,14-15,17H2,1-2H3/b13-12+