[2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] octanoate

Systemtic Name: [2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] octanoate Openeye Name: [2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)-4-piperidyl] octanoate CAS Name: octanoic acid [2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)-4-piperidinyl] ester IUPAC Name: [2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] octanoate Traditional Name: caprylic acid [2,2-diethyl-3,6,6-trimethyl-1-(1-phenylethoxy)-4-piperidyl] ester Formula: C28H47NO3 MolecularWeight: 445.67768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1CC(N(C(C1C)(CC)CC)OC(C)C2=CC=CC=C2)(C)C

Isomeric SMILES

CCCCCCCC(=O)OC1CC(N(C(C1C)(CC)CC)OC(C)C2=CC=CC=C2)(C)C

InChI

InChI=1S/C28H47NO3/c1-8-11-12-13-17-20-26(30)31-25-21-27(6,7)29(28(9-2,10-3)22(25)4)32-23(5)24-18-15-14-16-19-24/h14-16,18-19,22-23,25H,8-13,17,20-21H2,1-7H3