[2-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [2-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [2-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [2-[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [2-(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C23H21ClFNO4 MolecularWeight: 429.868543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=C(C=CC=C3Cl)F)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=C(C=CC=C3Cl)F)C

InChI

InChI=1S/C23H21ClFNO4/c1-4-29-17-10-8-16(9-11-17)26-14(2)12-18(15(26)3)21(27)13-30-23(28)22-19(24)6-5-7-20(22)25/h5-12H,4,13H2,1-3H3