[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-acetamido-3-methyl-benzoate

Systemtic Name: [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-acetamido-3-methyl-benzoate Openeye Name: [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2-acetamido-3-methyl-benzoate CAS Name: 2-acetamido-3-methylbenzoic acid [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-acetamido-3-methylbenzoate Traditional Name: 2-acetamido-3-methyl-benzoic acid [2-[1-(4-fluorobenzyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C25H25FN2O4 MolecularWeight: 436.475403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)C)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)C)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C25H25FN2O4/c1-15-6-5-7-21(24(15)27-18(4)29)25(31)32-14-23(30)22-12-16(2)28(17(22)3)13-19-8-10-20(26)11-9-19/h5-12H,13-14H2,1-4H3,(H,27,29)