5-[3-[2-oxidanylidene-6-[(E,3R)-3-oxidanyl-4-phenyl-but-1-enyl]piperidin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxylic acid

Systemtic Name: 5-[3-[2-oxidanylidene-6-[(E,3R)-3-oxidanyl-4-phenyl-but-1-enyl]piperidin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxylic acid Openeye Name: 5-[3-[2-[(E,3R)-3-hydroxy-4-phenyl-but-1-enyl]-6-oxo-1-piperidyl]propyl]-1,3,4-oxadiazole-2-carboxylic acid CAS Name: 5-[3-[2-[(E,3R)-3-hydroxy-4-phenylbut-1-enyl]-6-oxo-1-piperidinyl]propyl]-1,3,4-oxadiazole-2-carboxylic acid IUPAC Name: 5-[3-[2-[(E,3R)-3-hydroxy-4-phenylbut-1-enyl]-6-oxopiperidin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxylic acid Traditional Name: 5-[3-[2-[(E,3R)-3-hydroxy-4-phenyl-but-1-enyl]-6-keto-piperidino]propyl]-1,3,4-oxadiazole-2-carboxylic acid Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C(=O)C1)CCCC2=NN=C(O2)C(=O)O)C=CC(CC3=CC=CC=C3)O

Isomeric SMILES

C1CC(N(C(=O)C1)CCCC2=NN=C(O2)C(=O)O)/C=C/[C@@H](CC3=CC=CC=C3)O

InChI

InChI=1S/C21H25N3O5/c25-17(14-15-6-2-1-3-7-15)12-11-16-8-4-10-19(26)24(16)13-5-9-18-22-23-20(29-18)21(27)28/h1-3,6-7,11-12,16-17,25H,4-5,8-10,13-14H2,(H,27,28)/b12-11+/t16?,17-/m0/s1