ethyl 1-[(4-hexoxyphenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-hexoxyphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-hexoxyphenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(4-hexoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-hexoxyphenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-(4-hexoxybenzyl)isonipecotic acid ethyl ester Formula: C21H33NO3 MolecularWeight: 347.49162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)CN2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)CN2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C21H33NO3/c1-3-5-6-7-16-25-20-10-8-18(9-11-20)17-22-14-12-19(13-15-22)21(23)24-4-2/h8-11,19H,3-7,12-17H2,1-2H3