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

Systemtic Name: 3-[4-[4-[(3-methyl-4-phenyl-phenoxy)methyl]phenyl]piperidin-1-yl]propanoic acid Openeye Name: 3-[4-[4-[(3-methyl-4-phenyl-phenoxy)methyl]phenyl]-1-piperidyl]propanoic acid CAS Name: 3-[4-[4-[(3-methyl-4-phenylphenoxy)methyl]phenyl]-1-piperidinyl]propanoic acid IUPAC Name: 3-[4-[4-[(3-methyl-4-phenylphenoxy)methyl]phenyl]piperidin-1-yl]propanoic acid Traditional Name: 3-[4-[4-[(3-methyl-4-phenyl-phenoxy)methyl]phenyl]piperidino]propionic acid Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC=C(C=C2)C3CCN(CC3)CCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=C(C=C2)C3CCN(CC3)CCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C28H31NO3/c1-21-19-26(11-12-27(21)25-5-3-2-4-6-25)32-20-22-7-9-23(10-8-22)24-13-16-29(17-14-24)18-15-28(30)31/h2-12,19,24H,13-18,20H2,1H3,(H,30,31)