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

Systemtic Name: [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] nonanoate Openeye Name: [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)-4-piperidyl] nonanoate CAS Name: nonanoic 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] nonanoate Traditional Name: pelargonic acid [2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)-4-piperidyl] ester Formula: C28H47NO3 MolecularWeight: 445.67768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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