[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 3,5-dimethylbenzoate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 3,5-dimethylbenzoate Openeye Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [(1R)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [(1R)-2-keto-1-phenyl-2-pyrrolidino-ethyl] ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)N3CCCC3)C

InChI

InChI=1S/C21H23NO3/c1-15-12-16(2)14-18(13-15)21(24)25-19(17-8-4-3-5-9-17)20(23)22-10-6-7-11-22/h3-5,8-9,12-14,19H,6-7,10-11H2,1-2H3/t19-/m1/s1