[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 2,4-dimethylbenzoate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 2,4-dimethylbenzoate Openeye Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl] 2,4-dimethylbenzoate CAS Name: 2,4-dimethylbenzoic acid [(1R)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2,4-dimethylbenzoate Traditional Name: 2,4-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(=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCC3)C

Isomeric SMILES

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

InChI

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