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

Systemtic Name: [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] octanoate Openeye Name: [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)-4-piperidyl] octanoate CAS Name: octanoic acid [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)-4-piperidinyl] ester IUPAC Name: [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] octanoate Traditional Name: caprylic acid [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)-4-piperidyl] ester Formula: C27H45NO3 MolecularWeight: 431.6511

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1CC(N(C(C1)(CC)CC)OC(C)C2=CC=CC=C2)(C)C

Isomeric SMILES

CCCCCCCC(=O)OC1CC(N(C(C1)(CC)CC)OC(C)C2=CC=CC=C2)(C)C

InChI

InChI=1S/C27H45NO3/c1-7-10-11-12-16-19-25(29)30-24-20-26(5,6)28(27(8-2,9-3)21-24)31-22(4)23-17-14-13-15-18-23/h13-15,17-18,22,24H,7-12,16,19-21H2,1-6H3