methyl 3-(1-hexyl-3,4-dimethyl-piperidin-4-yl)benzoate

Systemtic Name: methyl 3-(1-hexyl-3,4-dimethyl-piperidin-4-yl)benzoate Openeye Name: methyl 3-(1-hexyl-3,4-dimethyl-4-piperidyl)benzoate CAS Name: 3-(1-hexyl-3,4-dimethyl-4-piperidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-(1-hexyl-3,4-dimethylpiperidin-4-yl)benzoate Traditional Name: 3-(1-hexyl-3,4-dimethyl-4-piperidyl)benzoic acid methyl ester Formula: C21H33NO2 MolecularWeight: 331.49222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(C(C1)C)(C)C2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CCCCCCN1CCC(C(C1)C)(C)C2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C21H33NO2/c1-5-6-7-8-13-22-14-12-21(3,17(2)16-22)19-11-9-10-18(15-19)20(23)24-4/h9-11,15,17H,5-8,12-14,16H2,1-4H3