[2,6-dimethyl-2,6-bis(3-methylbutyl)-3-(2-methylpropyl)piperidin-4-yl] benzoate

Systemtic Name: [2,6-dimethyl-2,6-bis(3-methylbutyl)-3-(2-methylpropyl)piperidin-4-yl] benzoate Openeye Name: (3-isobutyl-2,6-diisopentyl-2,6-dimethyl-4-piperidyl) benzoate CAS Name: benzoic acid [2,6-dimethyl-2,6-bis(3-methylbutyl)-3-(2-methylpropyl)-4-piperidinyl] ester IUPAC Name: [2,6-dimethyl-2,6-bis(3-methylbutyl)-3-(2-methylpropyl)piperidin-4-yl] benzoate Traditional Name: benzoic acid (2,6-diisoamyl-3-isobutyl-2,6-dimethyl-4-piperidyl) ester Formula: C28H47NO2 MolecularWeight: 429.67828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CC(C(C(N1)(C)CCC(C)C)CC(C)C)OC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC(C)CCC1(CC(C(C(N1)(C)CCC(C)C)CC(C)C)OC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C28H47NO2/c1-20(2)14-16-27(7)19-25(31-26(30)23-12-10-9-11-13-23)24(18-22(5)6)28(8,29-27)17-15-21(3)4/h9-13,20-22,24-25,29H,14-19H2,1-8H3