[(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [(1S)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 3-(2-oxo-1-pyrrolidinyl)benzoic acid [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 3-(2-ketopyrrolidino)benzoic acid [(1S)-2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO4/c1-14-9-10-17(12-15(14)2)21(25)16(3)27-22(26)18-6-4-7-19(13-18)23-11-5-8-20(23)24/h4,6-7,9-10,12-13,16H,5,8,11H2,1-3H3/t16-/m0/s1