[2,6-diethyl-2,3,6-trimethyl-1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate

Systemtic Name: [2,6-diethyl-2,3,6-trimethyl-1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate Openeye Name: [2,6-diethyl-2,3,6-trimethyl-1-(p-tolylmethyl)-4-piperidyl] benzoate CAS Name: benzoic acid [2,6-diethyl-2,3,6-trimethyl-1-[(4-methylphenyl)methyl]-4-piperidinyl] ester IUPAC Name: [2,6-diethyl-2,3,6-trimethyl-1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate Traditional Name: benzoic acid [2,6-diethyl-2,3,6-trimethyl-1-(4-methylbenzyl)-4-piperidyl] ester Formula: C27H37NO2 MolecularWeight: 407.58818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C(C(N1CC2=CC=C(C=C2)C)(C)CC)C)OC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCC1(CC(C(C(N1CC2=CC=C(C=C2)C)(C)CC)C)OC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C27H37NO2/c1-7-26(5)18-24(30-25(29)23-12-10-9-11-13-23)21(4)27(6,8-2)28(26)19-22-16-14-20(3)15-17-22/h9-17,21,24H,7-8,18-19H2,1-6H3