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

Systemtic Name: 7-[(6R)-2-oxidanylidene-6-[(E)-3-oxidanyl-4-phenoxy-but-1-enyl]piperidin-1-yl]heptanoic acid Openeye Name: 7-[(2R)-2-[(E)-3-hydroxy-4-phenoxy-but-1-enyl]-6-oxo-1-piperidyl]heptanoic acid CAS Name: 7-[(2R)-2-[(E)-3-hydroxy-4-phenoxybut-1-enyl]-6-oxo-1-piperidinyl]heptanoic acid IUPAC Name: 7-[(2R)-2-[(E)-3-hydroxy-4-phenoxybut-1-enyl]-6-oxopiperidin-1-yl]heptanoic acid Traditional Name: 7-[(2R)-2-[(E)-3-hydroxy-4-phenoxy-but-1-enyl]-6-keto-piperidino]enanthic acid Formula: C22H31NO5 MolecularWeight: 389.48524

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C(=O)C1)CCCCCCC(=O)O)C=CC(COC2=CC=CC=C2)O

Isomeric SMILES

C1C[C@@H](N(C(=O)C1)CCCCCCC(=O)O)/C=C/C(COC2=CC=CC=C2)O

InChI

InChI=1S/C22H31NO5/c24-19(17-28-20-10-4-3-5-11-20)15-14-18-9-8-12-21(25)23(18)16-7-2-1-6-13-22(26)27/h3-5,10-11,14-15,18-19,24H,1-2,6-9,12-13,16-17H2,(H,26,27)/b15-14+/t18-,19?/m1/s1