2-[4-[2-(2,6-diphenylpiperidin-1-yl)ethylsulfanyl]-3-methoxy-phenoxy]propanoic acid

Systemtic Name: 2-[4-[2-(2,6-diphenylpiperidin-1-yl)ethylsulfanyl]-3-methoxy-phenoxy]propanoic acid Openeye Name: 2-[4-[2-(2,6-diphenyl-1-piperidyl)ethylsulfanyl]-3-methoxy-phenoxy]propanoic acid CAS Name: 2-[4-[2-(2,6-diphenyl-1-piperidinyl)ethylthio]-3-methoxyphenoxy]propanoic acid IUPAC Name: 2-[4-[2-(2,6-diphenylpiperidin-1-yl)ethylsulfanyl]-3-methoxyphenoxy]propanoic acid Traditional Name: 2-[4-[2-(2,6-diphenylpiperidino)ethylthio]-3-methoxy-phenoxy]propionic acid Formula: C29H33NO4S MolecularWeight: 491.64162

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H33NO4S/c1-21(29(31)32)34-24-16-17-28(27(20-24)33-2)35-19-18-30-25(22-10-5-3-6-11-22)14-9-15-26(30)23-12-7-4-8-13-23/h3-8,10-13,16-17,20-21,25-26H,9,14-15,18-19H2,1-2H3,(H,31,32)