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

Systemtic Name: 3-[4-[3-[(4-cyclohexyl-3-methyl-phenoxy)methyl]phenyl]piperidin-1-yl]propanoic acid Openeye Name: 3-[4-[3-[(4-cyclohexyl-3-methyl-phenoxy)methyl]phenyl]-1-piperidyl]propanoic acid CAS Name: 3-[4-[3-[(4-cyclohexyl-3-methylphenoxy)methyl]phenyl]-1-piperidinyl]propanoic acid IUPAC Name: 3-[4-[3-[(4-cyclohexyl-3-methylphenoxy)methyl]phenyl]piperidin-1-yl]propanoic acid Traditional Name: 3-[4-[3-[(4-cyclohexyl-3-methyl-phenoxy)methyl]phenyl]piperidino]propionic acid Formula: C28H37NO3 MolecularWeight: 435.59828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC=CC(=C2)C3CCN(CC3)CCC(=O)O)C4CCCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=CC(=C2)C3CCN(CC3)CCC(=O)O)C4CCCCC4

InChI

InChI=1S/C28H37NO3/c1-21-18-26(10-11-27(21)24-7-3-2-4-8-24)32-20-22-6-5-9-25(19-22)23-12-15-29(16-13-23)17-14-28(30)31/h5-6,9-11,18-19,23-24H,2-4,7-8,12-17,20H2,1H3,(H,30,31)