3-[4-[1-[4-(1-oxidanylhexyl)phenyl]-6-oxidanylidene-piperidin-2-yl]phenyl]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=C(C=C1)N2C(CCCC2=O)C3=CC=C(C=C3)CCC(=O)O)O

Isomeric SMILES

CCCCCC(C1=CC=C(C=C1)N2C(CCCC2=O)C3=CC=C(C=C3)CCC(=O)O)O

InChI

InChI=1S/C26H33NO4/c1-2-3-4-7-24(28)21-14-16-22(17-15-21)27-23(6-5-8-25(27)29)20-12-9-19(10-13-20)11-18-26(30)31/h9-10,12-17,23-24,28H,2-8,11,18H2,1H3,(H,30,31)