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

Systemtic Name: methyl 3-(1-hexanoyl-3,4-dimethyl-piperidin-4-yl)benzoate Openeye Name: methyl 3-(1-hexanoyl-3,4-dimethyl-4-piperidyl)benzoate CAS Name: 3-[3,4-dimethyl-1-(1-oxohexyl)-4-piperidinyl]benzoic acid methyl ester IUPAC Name: methyl 3-(1-hexanoyl-3,4-dimethylpiperidin-4-yl)benzoate Traditional Name: 3-(1-caproyl-3,4-dimethyl-4-piperidyl)benzoic acid methyl ester Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCC(C(C1)C)(C)C2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CCCCCC(=O)N1CCC(C(C1)C)(C)C2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C21H31NO3/c1-5-6-7-11-19(23)22-13-12-21(3,16(2)15-22)18-10-8-9-17(14-18)20(24)25-4/h8-10,14,16H,5-7,11-13,15H2,1-4H3