4-[2-[2-[(Z)-6-cyclopropyl-3-oxidanyl-hex-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[2-[(Z)-6-cyclopropyl-3-oxidanyl-hex-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[2-[(Z)-6-cyclopropyl-3-hydroxy-hex-1-enyl]-5-oxo-pyrrolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[2-[(Z)-6-cyclopropyl-3-hydroxyhex-1-enyl]-5-oxo-1-pyrrolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-[(Z)-6-cyclopropyl-3-hydroxyhex-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[2-[(Z)-6-cyclopropyl-3-hydroxy-hex-1-enyl]-5-keto-pyrrolidino]ethyl]benzoic acid Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CCCC(C=CC2CCC(=O)N2CCC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

C1CC1CCCC(/C=C\C2CCC(=O)N2CCC3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C22H29NO4/c24-20(3-1-2-16-4-5-16)12-10-19-11-13-21(25)23(19)15-14-17-6-8-18(9-7-17)22(26)27/h6-10,12,16,19-20,24H,1-5,11,13-15H2,(H,26,27)/b12-10-