3-[3-[1-(4-hexylphenyl)-6-oxidanylidene-piperidin-2-yl]phenoxy]propanoic acid

Systemtic Name: 3-[3-[1-(4-hexylphenyl)-6-oxidanylidene-piperidin-2-yl]phenoxy]propanoic acid Openeye Name: 3-[3-[1-(4-hexylphenyl)-6-oxo-2-piperidyl]phenoxy]propanoic acid CAS Name: 3-[3-[1-(4-hexylphenyl)-6-oxo-2-piperidinyl]phenoxy]propanoic acid IUPAC Name: 3-[3-[1-(4-hexylphenyl)-6-oxopiperidin-2-yl]phenoxy]propanoic acid Traditional Name: 3-[3-[1-(4-hexylphenyl)-6-keto-2-piperidyl]phenoxy]propionic acid Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)N2C(CCCC2=O)C3=CC(=CC=C3)OCCC(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)N2C(CCCC2=O)C3=CC(=CC=C3)OCCC(=O)O

InChI

InChI=1S/C26H33NO4/c1-2-3-4-5-8-20-13-15-22(16-14-20)27-24(11-7-12-25(27)28)21-9-6-10-23(19-21)31-18-17-26(29)30/h6,9-10,13-16,19,24H,2-5,7-8,11-12,17-18H2,1H3,(H,29,30)