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

Systemtic Name: [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-propan-2-ylbenzoate Openeye Name: [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic 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-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [2-[1-(4-fluorobenzyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C25H26FNO3 MolecularWeight: 407.477243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=C(C=C2)F)C)C(=O)COC(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=C(C=C2)F)C)C(=O)COC(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C25H26FNO3/c1-16(2)20-7-9-21(10-8-20)25(29)30-15-24(28)23-13-17(3)27(18(23)4)14-19-5-11-22(26)12-6-19/h5-13,16H,14-15H2,1-4H3