2-[4-[2-(2,6-diphenylpiperidin-1-yl)ethylsulfanyl]-5-methoxy-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-(2,6-diphenylpiperidin-1-yl)ethylsulfanyl]-5-methoxy-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-(2,6-diphenyl-1-piperidyl)ethylsulfanyl]-5-methoxy-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[2-(2,6-diphenyl-1-piperidinyl)ethylthio]-5-methoxy-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[2-(2,6-diphenylpiperidin-1-yl)ethylsulfanyl]-5-methoxy-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[2-(2,6-diphenylpiperidino)ethylthio]-5-methoxy-2-methyl-phenoxy]acetic acid Formula: C29H33NO4S MolecularWeight: 491.64162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCC(=O)O)OC)SCCN2C(CCCC2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1OCC(=O)O)OC)SCCN2C(CCCC2C3=CC=CC=C3)C4=CC=CC=C4

InChI

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