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

Systemtic Name: (3R)-1-[2-[4-(2-tert-butyl-4-methyl-phenoxy)phenyl]ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[2-[4-(2-tert-butyl-4-methyl-phenoxy)phenyl]ethyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[2-[4-(2-tert-butyl-4-methylphenoxy)phenyl]ethyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[2-[4-(2-tert-butyl-4-methylphenoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-[2-[4-(2-tert-butyl-4-methyl-phenoxy)phenyl]ethyl]-5-keto-pyrrolidine-3-carboxylate Formula: C24H28NO4- MolecularWeight: 394.48342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=CC=C(C=C2)CCN3CC(CC3=O)C(=O)[O-])C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=CC=C(C=C2)CCN3C[C@@H](CC3=O)C(=O)[O-])C(C)(C)C

InChI

InChI=1S/C24H29NO4/c1-16-5-10-21(20(13-16)24(2,3)4)29-19-8-6-17(7-9-19)11-12-25-15-18(23(27)28)14-22(25)26/h5-10,13,18H,11-12,14-15H2,1-4H3,(H,27,28)/p-1/t18-/m1/s1