4-[2-[(2R)-2-[(E,3S)-5-cyclobutyl-3-oxidanyl-pent-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[(2R)-2-[(E,3S)-5-cyclobutyl-3-oxidanyl-pent-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[(2R)-2-[(E,3S)-5-cyclobutyl-3-hydroxy-pent-1-enyl]-5-oxo-pyrrolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[(2R)-2-[(E,3S)-5-cyclobutyl-3-hydroxypent-1-enyl]-5-oxo-1-pyrrolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[(2R)-2-[(E,3S)-5-cyclobutyl-3-hydroxypent-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[(2R)-2-[(E,3S)-5-cyclobutyl-3-hydroxy-pent-1-enyl]-5-keto-pyrrolidino]ethyl]benzoic acid Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CCC(C=CC2CCC(=O)N2CCC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

C1CC(C1)CC[C@@H](/C=C/[C@H]2CCC(=O)N2CCC3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C22H29NO4/c24-20(11-6-16-2-1-3-16)12-9-19-10-13-21(25)23(19)15-14-17-4-7-18(8-5-17)22(26)27/h4-5,7-9,12,16,19-20,24H,1-3,6,10-11,13-15H2,(H,26,27)/b12-9+/t19-,20-/m0/s1