phenylcarbonyl 1,2,2,6,6-pentamethyl-4-(octanoylamino)piperidine-4-carboxylate

Systemtic Name: phenylcarbonyl 1,2,2,6,6-pentamethyl-4-(octanoylamino)piperidine-4-carboxylate Openeye Name: benzoyl 1,2,2,6,6-pentamethyl-4-(octanoylamino)piperidine-4-carboxylate CAS Name: 1,2,2,6,6-pentamethyl-4-(1-oxooctylamino)-4-piperidinecarboxylic acid benzoyl ester IUPAC Name: benzoyl 1,2,2,6,6-pentamethyl-4-(octanoylamino)piperidine-4-carboxylate Traditional Name: 4-(caprylylamino)-1,2,2,6,6-pentamethyl-isonipecotic acid benzoyl ester Formula: C26H40N2O4 MolecularWeight: 444.6068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1(CC(N(C(C1)(C)C)C)(C)C)C(=O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)NC1(CC(N(C(C1)(C)C)C)(C)C)C(=O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C26H40N2O4/c1-7-8-9-10-14-17-21(29)27-26(18-24(2,3)28(6)25(4,5)19-26)23(31)32-22(30)20-15-12-11-13-16-20/h11-13,15-16H,7-10,14,17-19H2,1-6H3,(H,27,29)