4-[2-[2-[(1Z)-3-oxidanylhepta-1,6-dienyl]-5-oxidanylidene-pyrrolidin-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[2-[(1Z)-3-oxidanylhepta-1,6-dienyl]-5-oxidanylidene-pyrrolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[2-[(1Z)-3-hydroxyhepta-1,6-dienyl]-5-oxo-pyrrolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[2-[(1Z)-3-hydroxyhepta-1,6-dienyl]-5-oxo-1-pyrrolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-[(1Z)-3-hydroxyhepta-1,6-dienyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[2-[(1Z)-3-hydroxyhepta-1,6-dienyl]-5-keto-pyrrolidino]ethyl]benzoic acid Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(C=CC1CCC(=O)N1CCC2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

C=CCCC(/C=C\C1CCC(=O)N1CCC2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C20H25NO4/c1-2-3-4-18(22)11-9-17-10-12-19(23)21(17)14-13-15-5-7-16(8-6-15)20(24)25/h2,5-9,11,17-18,22H,1,3-4,10,12-14H2,(H,24,25)/b11-9-