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

Systemtic Name: [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-methylbenzoate Openeye Name: [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-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] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[1-(4-fluorobenzyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C23H22FNO3 MolecularWeight: 379.424083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C23H22FNO3/c1-15-4-8-19(9-5-15)23(27)28-14-22(26)21-12-16(2)25(17(21)3)13-18-6-10-20(24)11-7-18/h4-12H,13-14H2,1-3H3