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

Systemtic Name: 2-methoxy-3-[1-[4-(2-methyl-2-oxidanyl-propoxy)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]benzoic acid Openeye Name: 3-[1-[4-(2-hydroxy-2-methyl-propoxy)phenyl]-5-oxo-pyrrolidin-3-yl]-2-methoxy-benzoic acid CAS Name: 3-[1-[4-(2-hydroxy-2-methylpropoxy)phenyl]-5-oxo-3-pyrrolidinyl]-2-methoxybenzoic acid IUPAC Name: 3-[1-[4-(2-hydroxy-2-methylpropoxy)phenyl]-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid Traditional Name: 3-[1-[4-(2-hydroxy-2-methyl-propoxy)phenyl]-5-keto-pyrrolidin-3-yl]-2-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)C3=CC=CC(=C3OC)C(=O)O)O

Isomeric SMILES

CC(C)(COC1=CC=C(C=C1)N2CC(CC2=O)C3=CC=CC(=C3OC)C(=O)O)O

InChI

InChI=1S/C22H25NO6/c1-22(2,27)13-29-16-9-7-15(8-10-16)23-12-14(11-19(23)24)17-5-4-6-18(21(25)26)20(17)28-3/h4-10,14,27H,11-13H2,1-3H3,(H,25,26)