(2,3,6-trimethylphenyl) 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: (2,3,6-trimethylphenyl) 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: (2,3,6-trimethylphenyl) 4-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-(2-oxo-1-pyrrolidinyl)benzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 4-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-(2-ketopyrrolidino)benzoic acid (2,3,6-trimethylphenyl) ester Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO3/c1-13-6-7-14(2)19(15(13)3)24-20(23)16-8-10-17(11-9-16)21-12-4-5-18(21)22/h6-11H,4-5,12H2,1-3H3