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

Systemtic Name: 4-[2-[(5S)-2-oxidanylidene-5-[(3S)-3-oxidanyloctyl]pyrrolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[(2S)-2-[(3S)-3-hydroxyoctyl]-5-oxo-pyrrolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[(2S)-2-[(3S)-3-hydroxyoctyl]-5-oxo-1-pyrrolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[(2S)-2-[(3S)-3-hydroxyoctyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[(2S)-2-[(3S)-3-hydroxyoctyl]-5-keto-pyrrolidino]ethyl]benzoic acid Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC[C@@H](CC[C@H]1CCC(=O)N1CCC2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C21H31NO4/c1-2-3-4-5-19(23)12-10-18-11-13-20(24)22(18)15-14-16-6-8-17(9-7-16)21(25)26/h6-9,18-19,23H,2-5,10-15H2,1H3,(H,25,26)/t18-,19-/m0/s1