4-[2-[2-oxidanylidene-5-(3-oxidanylnonyl)pyrrolidin-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[2-oxidanylidene-5-(3-oxidanylnonyl)pyrrolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[2-(3-hydroxynonyl)-5-oxo-pyrrolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[2-(3-hydroxynonyl)-5-oxo-1-pyrrolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-(3-hydroxynonyl)-5-oxopyrrolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[2-(3-hydroxynonyl)-5-keto-pyrrolidino]ethyl]benzoic acid Formula: C22H33NO4 MolecularWeight: 375.50172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCC1CCC(=O)N1CCC2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

CCCCCCC(CCC1CCC(=O)N1CCC2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C22H33NO4/c1-2-3-4-5-6-20(24)13-11-19-12-14-21(25)23(19)16-15-17-7-9-18(10-8-17)22(26)27/h7-10,19-20,24H,2-6,11-16H2,1H3,(H,26,27)