7-[2-oxidanylidene-6-[(E,3R)-3-oxidanyl-4-phenyl-but-1-enyl]piperidin-1-yl]heptanoic acid

Systemtic Name: 7-[2-oxidanylidene-6-[(E,3R)-3-oxidanyl-4-phenyl-but-1-enyl]piperidin-1-yl]heptanoic acid Openeye Name: 7-[2-[(E,3R)-3-hydroxy-4-phenyl-but-1-enyl]-6-oxo-1-piperidyl]heptanoic acid CAS Name: 7-[2-[(E,3R)-3-hydroxy-4-phenylbut-1-enyl]-6-oxo-1-piperidinyl]heptanoic acid IUPAC Name: 7-[2-[(E,3R)-3-hydroxy-4-phenylbut-1-enyl]-6-oxopiperidin-1-yl]heptanoic acid Traditional Name: 7-[2-[(E,3R)-3-hydroxy-4-phenyl-but-1-enyl]-6-keto-piperidino]enanthic acid Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C(=O)C1)CCCCCCC(=O)O)C=CC(CC2=CC=CC=C2)O

Isomeric SMILES

C1CC(N(C(=O)C1)CCCCCCC(=O)O)/C=C/[C@@H](CC2=CC=CC=C2)O

InChI

InChI=1S/C22H31NO4/c24-20(17-18-9-4-3-5-10-18)15-14-19-11-8-12-21(25)23(19)16-7-2-1-6-13-22(26)27/h3-5,9-10,14-15,19-20,24H,1-2,6-8,11-13,16-17H2,(H,26,27)/b15-14+/t19?,20-/m0/s1