(E)-7-[2-oxidanylidene-5-(phenethylcarbamoyloxymethyl)pyrrolidin-1-yl]hept-5-enoic acid

Systemtic Name: (E)-7-[2-oxidanylidene-5-(phenethylcarbamoyloxymethyl)pyrrolidin-1-yl]hept-5-enoic acid Openeye Name: (E)-7-[2-oxo-5-(phenethylcarbamoyloxymethyl)pyrrolidin-1-yl]hept-5-enoic acid CAS Name: (E)-7-[2-oxo-5-[[oxo-(phenethylamino)methoxy]methyl]-1-pyrrolidinyl]-5-heptenoic acid IUPAC Name: (E)-7-[2-oxo-5-(phenethylcarbamoyloxymethyl)pyrrolidin-1-yl]hept-5-enoic acid Traditional Name: (E)-7-[2-keto-5-(phenethylcarbamoyloxymethyl)pyrrolidino]hept-5-enoic acid Formula: C21H28N2O5 MolecularWeight: 388.45742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1COC(=O)NCCC2=CC=CC=C2)CC=CCCCC(=O)O

Isomeric SMILES

C1CC(=O)N(C1COC(=O)NCCC2=CC=CC=C2)C/C=C/CCCC(=O)O

InChI

InChI=1S/C21H28N2O5/c24-19-12-11-18(23(19)15-7-2-1-6-10-20(25)26)16-28-21(27)22-14-13-17-8-4-3-5-9-17/h2-5,7-9,18H,1,6,10-16H2,(H,22,27)(H,25,26)/b7-2+