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

Systemtic Name: [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic 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] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-[1-(4-fluorobenzyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C24H24FNO3 MolecularWeight: 393.450663

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C24H24FNO3/c1-4-18-5-9-20(10-6-18)24(28)29-15-23(27)22-13-16(2)26(17(22)3)14-19-7-11-21(25)12-8-19/h5-13H,4,14-15H2,1-3H3