4-[3-[2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]pyrrolidin-1-yl]propyl]benzoic acid

Systemtic Name: 4-[3-[2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]pyrrolidin-1-yl]propyl]benzoic acid Openeye Name: 4-[3-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxo-pyrrolidin-1-yl]propyl]benzoic acid CAS Name: 4-[3-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxo-1-pyrrolidinyl]propyl]benzoic acid IUPAC Name: 4-[3-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]propyl]benzoic acid Traditional Name: 4-[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=C(C=C2)C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO4/c1-2-3-4-7-20(24)14-12-19-13-15-21(25)23(19)16-5-6-17-8-10-18(11-9-17)22(26)27/h8-12,14,19-20,24H,2-7,13,15-16H2,1H3,(H,26,27)/b14-12+