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

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 3-(2-oxo-1-pyrrolidinyl)benzoic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 3-(2-ketopyrrolidino)benzoic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4/c1-14-8-9-18(15(2)11-14)19(23)13-26-21(25)16-5-3-6-17(12-16)22-10-4-7-20(22)24/h3,5-6,8-9,11-12H,4,7,10,13H2,1-2H3