4-[[1-(4-butylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]methoxy]benzoic acid

Systemtic Name: 4-[[1-(4-butylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]methoxy]benzoic acid Openeye Name: 4-[[1-(4-butylphenyl)-5-oxo-pyrrolidin-3-yl]methoxy]benzoic acid CAS Name: 4-[[1-(4-butylphenyl)-5-oxo-3-pyrrolidinyl]methoxy]benzoic acid IUPAC Name: 4-[[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoic acid Traditional Name: 4-[[1-(4-butylphenyl)-5-keto-pyrrolidin-3-yl]methoxy]benzoic acid Formula: C22H25NO4 MolecularWeight: 367.4382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2CC(CC2=O)COC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2CC(CC2=O)COC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H25NO4/c1-2-3-4-16-5-9-19(10-6-16)23-14-17(13-21(23)24)15-27-20-11-7-18(8-12-20)22(25)26/h5-12,17H,2-4,13-15H2,1H3,(H,25,26)