3-[4-[4-[(4-cyclohexyl-3-ethyl-phenoxy)methyl]phenyl]piperidin-1-yl]propanoic acid

Systemtic Name: 3-[4-[4-[(4-cyclohexyl-3-ethyl-phenoxy)methyl]phenyl]piperidin-1-yl]propanoic acid Openeye Name: 3-[4-[4-[(4-cyclohexyl-3-ethyl-phenoxy)methyl]phenyl]-1-piperidyl]propanoic acid CAS Name: 3-[4-[4-[(4-cyclohexyl-3-ethylphenoxy)methyl]phenyl]-1-piperidinyl]propanoic acid IUPAC Name: 3-[4-[4-[(4-cyclohexyl-3-ethylphenoxy)methyl]phenyl]piperidin-1-yl]propanoic acid Traditional Name: 3-[4-[4-[(4-cyclohexyl-3-ethyl-phenoxy)methyl]phenyl]piperidino]propionic acid Formula: C29H39NO3 MolecularWeight: 449.62486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OCC2=CC=C(C=C2)C3CCN(CC3)CCC(=O)O)C4CCCCC4

Isomeric SMILES

CCC1=C(C=CC(=C1)OCC2=CC=C(C=C2)C3CCN(CC3)CCC(=O)O)C4CCCCC4

InChI

InChI=1S/C29H39NO3/c1-2-23-20-27(12-13-28(23)26-6-4-3-5-7-26)33-21-22-8-10-24(11-9-22)25-14-17-30(18-15-25)19-16-29(31)32/h8-13,20,25-26H,2-7,14-19,21H2,1H3,(H,31,32)