2-[5-[4-(4-cyanobutoxy)phenyl]-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[5-[4-(4-cyanobutoxy)phenyl]-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[4-(4-cyanobutoxy)phenyl]-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[5-[4-(4-cyanobutoxy)phenyl]-2-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[5-[4-(4-cyanobutoxy)phenyl]-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[5-[4-(4-cyanobutoxy)phenyl]-2-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Formula: C26H30N2O4 MolecularWeight: 434.5274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1C2=CC=C(C=C2)OCCCCC#N)CCCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C1C(C(=O)N(C1C2=CC=C(C=C2)OCCCCC#N)CCCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C26H30N2O4/c27-15-5-2-6-17-32-23-13-11-21(12-14-23)24-18-22(19-25(29)30)26(31)28(24)16-7-10-20-8-3-1-4-9-20/h1,3-4,8-9,11-14,22,24H,2,5-7,10,16-19H2,(H,29,30)