O1-tert-butyl O2-(phenylmethyl) 5-oxidanylidene-4-pent-2-ynyl-pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-(phenylmethyl) 5-oxidanylidene-4-pent-2-ynyl-pyrrolidine-1,2-dicarboxylate Openeye Name: O2-benzyl O1-tert-butyl 5-oxo-4-pent-2-ynyl-pyrrolidine-1,2-dicarboxylate CAS Name: 5-oxo-4-pent-2-ynylpyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 1-O-tert-butyl 5-oxo-4-pent-2-ynylpyrrolidine-1,2-dicarboxylate Traditional Name: 5-keto-4-pent-2-ynyl-pyrrolidine-1,2-dicarboxylic acid O2-benzyl ester O1-tert-butyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC#CCC1CC(N(C1=O)C(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC#CCC1CC(N(C1=O)C(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO5/c1-5-6-8-13-17-14-18(20(25)27-15-16-11-9-7-10-12-16)23(19(17)24)21(26)28-22(2,3)4/h7,9-12,17-18H,5,13-15H2,1-4H3