7-[(6R)-2-oxidanylidene-6-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]piperidin-1-yl]hept-5-ynoic acid

Systemtic Name: 7-[(6R)-2-oxidanylidene-6-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]piperidin-1-yl]hept-5-ynoic acid Openeye Name: 7-[(2R)-2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-6-oxo-1-piperidyl]hept-5-ynoic acid CAS Name: 7-[(2R)-2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-6-oxo-1-piperidinyl]-5-heptynoic acid IUPAC Name: 7-[(2R)-2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-6-oxopiperidin-1-yl]hept-5-ynoic acid Traditional Name: 7-[(2R)-2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-6-keto-piperidino]hept-5-ynoic acid Formula: C22H27NO4 MolecularWeight: 369.45408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C(=O)C1)CC#CCCCC(=O)O)C=CC(CC2=CC=CC=C2)O

Isomeric SMILES

C1C[C@@H](N(C(=O)C1)CC#CCCCC(=O)O)/C=C/C(CC2=CC=CC=C2)O

InChI

InChI=1S/C22H27NO4/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,1,6,8,11-13,16-17H2,(H,26,27)/b15-14+/t19-,20?/m1/s1