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

Systemtic Name: [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic 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-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[1-(4-fluorobenzyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C23H19FN2O3 MolecularWeight: 390.406963

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C23H19FN2O3/c1-15-11-21(16(2)26(15)13-18-5-9-20(24)10-6-18)22(27)14-29-23(28)19-7-3-17(12-25)4-8-19/h3-11H,13-14H2,1-2H3