(3R)-1-[[4-(2-tert-butyl-5-methyl-phenoxy)phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3R)-1-[[4-(2-tert-butyl-5-methyl-phenoxy)phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[[4-(2-tert-butyl-5-methyl-phenoxy)phenyl]methyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[[4-(2-tert-butyl-5-methylphenoxy)phenyl]methyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[[4-(2-tert-butyl-5-methylphenoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-[4-(2-tert-butyl-5-methyl-phenoxy)benzyl]-5-keto-pyrrolidine-3-carboxylate Formula: C23H26NO4- MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)(C)C)OC2=CC=C(C=C2)CN3CC(CC3=O)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)(C)C)OC2=CC=C(C=C2)CN3C[C@@H](CC3=O)C(=O)[O-]

InChI

InChI=1S/C23H27NO4/c1-15-5-10-19(23(2,3)4)20(11-15)28-18-8-6-16(7-9-18)13-24-14-17(22(26)27)12-21(24)25/h5-11,17H,12-14H2,1-4H3,(H,26,27)/p-1/t17-/m1/s1