[(2S)-1-[2-(4-fluorophenyl)ethanoyl]pyrrolidin-2-yl]methyl 4-cyanobenzoate

Systemtic Name: [(2S)-1-[2-(4-fluorophenyl)ethanoyl]pyrrolidin-2-yl]methyl 4-cyanobenzoate Openeye Name: [(2S)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [(2S)-1-[2-(4-fluorophenyl)-1-oxoethyl]-2-pyrrolidinyl]methyl ester IUPAC Name: [(2S)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]methyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [(2S)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]methyl ester Formula: C21H19FN2O3 MolecularWeight: 366.385563

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC2=CC=C(C=C2)F)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CC2=CC=C(C=C2)F)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19FN2O3/c22-18-9-5-15(6-10-18)12-20(25)24-11-1-2-19(24)14-27-21(26)17-7-3-16(13-23)4-8-17/h3-10,19H,1-2,11-12,14H2/t19-/m0/s1