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

Systemtic Name: [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate Openeye Name: [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(3-fluorophenyl)-2-propenoic acid [2-(1-benzamido-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(3-fluorophenyl)acrylic acid [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C24H21FN2O4 MolecularWeight: 420.432943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)COC(=O)C=CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)COC(=O)/C=C/C3=CC(=CC=C3)F

InChI

InChI=1S/C24H21FN2O4/c1-16-13-21(17(2)27(16)26-24(30)19-8-4-3-5-9-19)22(28)15-31-23(29)12-11-18-7-6-10-20(25)14-18/h3-14H,15H2,1-2H3,(H,26,30)/b12-11+