2-[4-[8-(diethylamino)octyl]piperidin-1-yl]ethyl 2-ethylsulfanyl-2,2-diphenyl-ethanoate

Systemtic Name: 2-[4-[8-(diethylamino)octyl]piperidin-1-yl]ethyl 2-ethylsulfanyl-2,2-diphenyl-ethanoate Openeye Name: 2-[4-[8-(diethylamino)octyl]-1-piperidyl]ethyl 2-ethylsulfanyl-2,2-diphenyl-acetate CAS Name: 2-(ethylthio)-2,2-diphenylacetic acid 2-[4-[8-(diethylamino)octyl]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[8-(diethylamino)octyl]piperidin-1-yl]ethyl 2-ethylsulfanyl-2,2-diphenylacetate Traditional Name: 2-(ethylthio)-2,2-diphenyl-acetic acid 2-[4-[8-(diethylamino)octyl]piperidino]ethyl ester Formula: C35H54N2O2S MolecularWeight: 566.88046

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCCCCCC1CCN(CC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC

Isomeric SMILES

CCN(CC)CCCCCCCCC1CCN(CC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC

InChI

InChI=1S/C35H54N2O2S/c1-4-36(5-2)26-18-10-8-7-9-13-19-31-24-27-37(28-25-31)29-30-39-34(38)35(40-6-3,32-20-14-11-15-21-32)33-22-16-12-17-23-33/h11-12,14-17,20-23,31H,4-10,13,18-19,24-30H2,1-3H3