4-[[5-oxidanylidene-1-[4-(2-phenylmethoxyethoxy)phenyl]pyrrolidin-3-yl]methoxy]benzoic acid

Systemtic Name: 4-[[5-oxidanylidene-1-[4-(2-phenylmethoxyethoxy)phenyl]pyrrolidin-3-yl]methoxy]benzoic acid Openeye Name: 4-[[1-[4-(2-benzyloxyethoxy)phenyl]-5-oxo-pyrrolidin-3-yl]methoxy]benzoic acid CAS Name: 4-[[5-oxo-1-[4-(2-phenylmethoxyethoxy)phenyl]-3-pyrrolidinyl]methoxy]benzoic acid IUPAC Name: 4-[[5-oxo-1-[4-(2-phenylmethoxyethoxy)phenyl]pyrrolidin-3-yl]methoxy]benzoic acid Traditional Name: 4-[[1-[4-(2-benzoxyethoxy)phenyl]-5-keto-pyrrolidin-3-yl]methoxy]benzoic acid Formula: C27H27NO6 MolecularWeight: 461.50638

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC=C(C=C2)OCCOCC3=CC=CC=C3)COC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1C(CN(C1=O)C2=CC=C(C=C2)OCCOCC3=CC=CC=C3)COC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H27NO6/c29-26-16-21(19-34-25-10-6-22(7-11-25)27(30)31)17-28(26)23-8-12-24(13-9-23)33-15-14-32-18-20-4-2-1-3-5-20/h1-13,21H,14-19H2,(H,30,31)