6-[1-[(4-cyanophenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]hexanoic acid

Systemtic Name: 6-[1-[(4-cyanophenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]hexanoic acid Openeye Name: 6-[1-[(4-cyanophenyl)methyl]-2-oxo-pyrrolidin-3-yl]hexanoic acid CAS Name: 6-[1-[(4-cyanophenyl)methyl]-2-oxo-3-pyrrolidinyl]hexanoic acid IUPAC Name: 6-[1-[(4-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]hexanoic acid Traditional Name: 6-[1-(4-cyanobenzyl)-2-keto-pyrrolidin-3-yl]hexanoic acid Formula: C18H22N2O3 MolecularWeight: 314.37888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1CCCCCC(=O)O)CC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CN(C(=O)C1CCCCCC(=O)O)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H22N2O3/c19-12-14-6-8-15(9-7-14)13-20-11-10-16(18(20)23)4-2-1-3-5-17(21)22/h6-9,16H,1-5,10-11,13H2,(H,21,22)