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

Systemtic Name: [2-[1-(3-fluoranyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3,5-diacetamidobenzoate Openeye Name: [2-[1-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3,5-diacetamidobenzoate CAS Name: 3,5-diacetamidobenzoic 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] 3,5-diacetamidobenzoate Traditional Name: 3,5-diacetamidobenzoic acid [2-[1-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C26H26FN3O5 MolecularWeight: 479.500143

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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(=CC(=C3)NC(=O)C)NC(=O)C)C)F

Isomeric SMILES

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

InChI

InChI=1S/C26H26FN3O5/c1-14-6-7-22(12-24(14)27)30-15(2)8-23(16(30)3)25(33)13-35-26(34)19-9-20(28-17(4)31)11-21(10-19)29-18(5)32/h6-12H,13H2,1-5H3,(H,28,31)(H,29,32)