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

Systemtic Name: 4-[[1-[4-(2-methyl-2-oxidanyl-propoxy)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]methoxy]benzoic acid Openeye Name: 4-[[1-[4-(2-hydroxy-2-methyl-propoxy)phenyl]-5-oxo-pyrrolidin-3-yl]methoxy]benzoic acid CAS Name: 4-[[1-[4-(2-hydroxy-2-methylpropoxy)phenyl]-5-oxo-3-pyrrolidinyl]methoxy]benzoic acid IUPAC Name: 4-[[1-[4-(2-hydroxy-2-methylpropoxy)phenyl]-5-oxopyrrolidin-3-yl]methoxy]benzoic acid Traditional Name: 4-[[1-[4-(2-hydroxy-2-methyl-propoxy)phenyl]-5-keto-pyrrolidin-3-yl]methoxy]benzoic acid Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC1=CC=C(C=C1)N2CC(CC2=O)COC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

CC(C)(COC1=CC=C(C=C1)N2CC(CC2=O)COC3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C22H25NO6/c1-22(2,27)14-29-19-9-5-17(6-10-19)23-12-15(11-20(23)24)13-28-18-7-3-16(4-8-18)21(25)26/h3-10,15,27H,11-14H2,1-2H3,(H,25,26)