[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate

Systemtic Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate Openeye Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate CAS Name: 4-methyl-3-(1-pyrrolyl)benzoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-methyl-3-pyrrol-1-ylbenzoate Traditional Name: 4-methyl-3-pyrrol-1-yl-benzoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C22H21FN2O3 MolecularWeight: 380.412143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)F)N3C=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)F)N3C=CC=C3

InChI

InChI=1S/C22H21FN2O3/c1-16-4-7-18(14-20(16)25-12-2-3-13-25)22(27)28-15-21(26)24-11-10-17-5-8-19(23)9-6-17/h2-9,12-14H,10-11,15H2,1H3,(H,24,26)