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

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate CAS Name: 4-[(2-oxo-1-pyrrolidinyl)methyl]benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate Traditional Name: 4-[(2-ketopyrrolidino)methyl]benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC=C(C=C2)CN3CCCC3=O)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC=C(C=C2)CN3CCCC3=O)C)C(C)(C)C

InChI

InChI=1S/C25H31NO3/c1-17-13-21(25(3,4)5)14-18(2)22(17)16-29-24(28)20-10-8-19(9-11-20)15-26-12-6-7-23(26)27/h8-11,13-14H,6-7,12,15-16H2,1-5H3