2-[4-[2-(2,6-diphenylpiperidin-1-yl)ethylsulfanyl]phenoxy]propanoic acid

Systemtic Name: 2-[4-[2-(2,6-diphenylpiperidin-1-yl)ethylsulfanyl]phenoxy]propanoic acid Openeye Name: 2-[4-[2-(2,6-diphenyl-1-piperidyl)ethylsulfanyl]phenoxy]propanoic acid CAS Name: 2-[4-[2-(2,6-diphenyl-1-piperidinyl)ethylthio]phenoxy]propanoic acid IUPAC Name: 2-[4-[2-(2,6-diphenylpiperidin-1-yl)ethylsulfanyl]phenoxy]propanoic acid Traditional Name: 2-[4-[2-(2,6-diphenylpiperidino)ethylthio]phenoxy]propionic acid Formula: C28H31NO3S MolecularWeight: 461.61564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=CC=C(C=C1)SCCN2C(CCCC2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)O)OC1=CC=C(C=C1)SCCN2C(CCCC2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H31NO3S/c1-21(28(30)31)32-24-15-17-25(18-16-24)33-20-19-29-26(22-9-4-2-5-10-22)13-8-14-27(29)23-11-6-3-7-12-23/h2-7,9-12,15-18,21,26-27H,8,13-14,19-20H2,1H3,(H,30,31)