3-[3-[2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]pyrrolidin-1-yl]propyl]benzoic acid

Systemtic Name: 3-[3-[2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]pyrrolidin-1-yl]propyl]benzoic acid Openeye Name: 3-[3-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxo-pyrrolidin-1-yl]propyl]benzoic acid CAS Name: 3-[3-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxo-1-pyrrolidinyl]propyl]benzoic acid IUPAC Name: 3-[3-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]propyl]benzoic acid Traditional Name: 3-[3-[2-[(E)-3-hydroxyoct-1-enyl]-5-keto-pyrrolidino]propyl]benzoic acid Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1CCC(=O)N1CCCC2=CC=CC(=C2)C(=O)O)O

Isomeric SMILES

CCCCCC(/C=C/C1CCC(=O)N1CCCC2=CC=CC(=C2)C(=O)O)O

InChI

InChI=1S/C22H31NO4/c1-2-3-4-10-20(24)13-11-19-12-14-21(25)23(19)15-6-8-17-7-5-9-18(16-17)22(26)27/h5,7,9,11,13,16,19-20,24H,2-4,6,8,10,12,14-15H2,1H3,(H,26,27)/b13-11+