ethyl 2-(4-butoxyphenyl)sulfanyl-2-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanoate

Systemtic Name: ethyl 2-(4-butoxyphenyl)sulfanyl-2-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanoate Openeye Name: ethyl 2-(4-butoxyphenyl)sulfanyl-2-methyl-3-[4-[2-(1-piperidyl)ethoxy]phenyl]propanoate CAS Name: 2-[(4-butoxyphenyl)thio]-2-methyl-3-[4-[2-(1-piperidinyl)ethoxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-(4-butoxyphenyl)sulfanyl-2-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanoate Traditional Name: 2-[(4-butoxyphenyl)thio]-2-methyl-3-[4-(2-piperidinoethoxy)phenyl]propionic acid ethyl ester Formula: C29H41NO4S MolecularWeight: 499.70514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)SC(C)(CC2=CC=C(C=C2)OCCN3CCCCC3)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)SC(C)(CC2=CC=C(C=C2)OCCN3CCCCC3)C(=O)OCC

InChI

InChI=1S/C29H41NO4S/c1-4-6-21-33-26-14-16-27(17-15-26)35-29(3,28(31)32-5-2)23-24-10-12-25(13-11-24)34-22-20-30-18-8-7-9-19-30/h10-17H,4-9,18-23H2,1-3H3