4-(butoxycarbonylamino)oxycarbonyl-1-(3-phenylpropyl)pyrrolidine-2-carboxylate

Systemtic Name: 4-(butoxycarbonylamino)oxycarbonyl-1-(3-phenylpropyl)pyrrolidine-2-carboxylate Openeye Name: 4-(butoxycarbonylamino)oxycarbonyl-1-(3-phenylpropyl)pyrrolidine-2-carboxylate CAS Name: 4-[[[butoxy(oxo)methyl]amino]oxy-oxomethyl]-1-(3-phenylpropyl)-2-pyrrolidinecarboxylate IUPAC Name: 4-(butoxycarbonylamino)oxycarbonyl-1-(3-phenylpropyl)pyrrolidine-2-carboxylate Traditional Name: 4-(butoxycarbonylamino)oxycarbonyl-1-(3-phenylpropyl)pyrrolidine-2-carboxylate Formula: C20H27N2O6- MolecularWeight: 391.43818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NOC(=O)C1CC(N(C1)CCCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CCCCOC(=O)NOC(=O)C1CC(N(C1)CCCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C20H28N2O6/c1-2-3-12-27-20(26)21-28-19(25)16-13-17(18(23)24)22(14-16)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,16-17H,2-3,7,10-14H2,1H3,(H,21,26)(H,23,24)/p-1