3-[5-[3-[1-(4-hexylphenyl)-6-oxidanylidene-piperidin-2-yl]propyl]-2-methyl-phenoxy]propanoic acid

Systemtic Name: 3-[5-[3-[1-(4-hexylphenyl)-6-oxidanylidene-piperidin-2-yl]propyl]-2-methyl-phenoxy]propanoic acid Openeye Name: 3-[5-[3-[1-(4-hexylphenyl)-6-oxo-2-piperidyl]propyl]-2-methyl-phenoxy]propanoic acid CAS Name: 3-[5-[3-[1-(4-hexylphenyl)-6-oxo-2-piperidinyl]propyl]-2-methylphenoxy]propanoic acid IUPAC Name: 3-[5-[3-[1-(4-hexylphenyl)-6-oxopiperidin-2-yl]propyl]-2-methylphenoxy]propanoic acid Traditional Name: 3-[5-[3-[1-(4-hexylphenyl)-6-keto-2-piperidyl]propyl]-2-methyl-phenoxy]propionic acid Formula: C30H41NO4 MolecularWeight: 479.65084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)N2C(CCCC2=O)CCCC3=CC(=C(C=C3)C)OCCC(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)N2C(CCCC2=O)CCCC3=CC(=C(C=C3)C)OCCC(=O)O

InChI

InChI=1S/C30H41NO4/c1-3-4-5-6-9-24-16-18-27(19-17-24)31-26(12-8-13-29(31)32)11-7-10-25-15-14-23(2)28(22-25)35-21-20-30(33)34/h14-19,22,26H,3-13,20-21H2,1-2H3,(H,33,34)