tert-butyl (2R,5E)-5-[2-(3-methoxyphenyl)-2-oxidanylidene-ethylidene]-1-(phenylmethyl)pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2R,5E)-5-[2-(3-methoxyphenyl)-2-oxidanylidene-ethylidene]-1-(phenylmethyl)pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2R,5E)-1-benzyl-5-[2-(3-methoxyphenyl)-2-oxo-ethylidene]pyrrolidine-2-carboxylate CAS Name: (2R,5E)-5-[2-(3-methoxyphenyl)-2-oxoethylidene]-1-(phenylmethyl)-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,5E)-1-benzyl-5-[2-(3-methoxyphenyl)-2-oxoethylidene]pyrrolidine-2-carboxylate Traditional Name: (2R,5E)-1-benzyl-5-[2-keto-2-(3-methoxyphenyl)ethylidene]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C25H29NO4 MolecularWeight: 407.50206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCC(=CC(=O)C2=CC(=CC=C2)OC)N1CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[C@H]1CC/C(=C\C(=O)C2=CC(=CC=C2)OC)/N1CC3=CC=CC=C3

InChI

InChI=1S/C25H29NO4/c1-25(2,3)30-24(28)22-14-13-20(26(22)17-18-9-6-5-7-10-18)16-23(27)19-11-8-12-21(15-19)29-4/h5-12,15-16,22H,13-14,17H2,1-4H3/b20-16+/t22-/m1/s1