[2-[1-(3-fluoranyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-benzamidoethanoate

Systemtic Name: [2-[1-(3-fluoranyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-benzamidoethanoate Openeye Name: [2-[1-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2-benzamidoacetate CAS Name: 2-benzamidoacetic acid [2-[1-(3-fluoro-4-methylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-benzamidoacetate Traditional Name: 2-benzamidoacetic acid [2-[1-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C24H23FN2O4 MolecularWeight: 422.448823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)CNC(=O)C3=CC=CC=C3)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)CNC(=O)C3=CC=CC=C3)C)F

InChI

InChI=1S/C24H23FN2O4/c1-15-9-10-19(12-21(15)25)27-16(2)11-20(17(27)3)22(28)14-31-23(29)13-26-24(30)18-7-5-4-6-8-18/h4-12H,13-14H2,1-3H3,(H,26,30)