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

Systemtic Name: [2-[1-(3-fluoranyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-aminocarbonylbenzoate Openeye Name: [2-[1-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-carbamoylbenzoate CAS Name: 4-carbamoylbenzoic 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] 4-carbamoylbenzoate Traditional Name: 4-carbamoylbenzoic acid [2-[1-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C23H21FN2O4 MolecularWeight: 408.422243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21FN2O4/c1-13-4-9-18(11-20(13)24)26-14(2)10-19(15(26)3)21(27)12-30-23(29)17-7-5-16(6-8-17)22(25)28/h4-11H,12H2,1-3H3,(H2,25,28)