[(2S)-1-(2-pyridin-2-ylethanoyl)pyrrolidin-2-yl]methyl 4-cyanobenzoate

Systemtic Name: [(2S)-1-(2-pyridin-2-ylethanoyl)pyrrolidin-2-yl]methyl 4-cyanobenzoate Openeye Name: [(2S)-1-[2-(2-pyridyl)acetyl]pyrrolidin-2-yl]methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [(2S)-1-[1-oxo-2-(2-pyridinyl)ethyl]-2-pyrrolidinyl]methyl ester IUPAC Name: [(2S)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]methyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [(2S)-1-[2-(2-pyridyl)acetyl]pyrrolidin-2-yl]methyl ester Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC2=CC=CC=N2)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CC2=CC=CC=N2)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H19N3O3/c21-13-15-6-8-16(9-7-15)20(25)26-14-18-5-3-11-23(18)19(24)12-17-4-1-2-10-22-17/h1-2,4,6-10,18H,3,5,11-12,14H2/t18-/m0/s1