(4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-(2-oxo-1-pyrrolidinyl)benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-(2-ketopyrrolidino)benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C24H29NO3 MolecularWeight: 379.49196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC=C(C=C2)N3CCCC3=O)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC=C(C=C2)N3CCCC3=O)C)C(C)(C)C

InChI

InChI=1S/C24H29NO3/c1-16-13-19(24(3,4)5)14-17(2)21(16)15-28-23(27)18-8-10-20(11-9-18)25-12-6-7-22(25)26/h8-11,13-14H,6-7,12,15H2,1-5H3