[3-[[3-(aminomethyl)-3,5,5-trimethyl-cyclohexyl]amino]-2-oxidanyl-propyl] 2-methyl-2-nonyl-undecanoate

Systemtic Name: [3-[[3-(aminomethyl)-3,5,5-trimethyl-cyclohexyl]amino]-2-oxidanyl-propyl] 2-methyl-2-nonyl-undecanoate Openeye Name: [3-[[3-(aminomethyl)-3,5,5-trimethyl-cyclohexyl]amino]-2-hydroxy-propyl] 2-methyl-2-nonyl-undecanoate CAS Name: 2-methyl-2-nonylundecanoic acid [3-[[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]amino]-2-hydroxypropyl] ester IUPAC Name: [3-[[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]amino]-2-hydroxypropyl] 2-methyl-2-nonylundecanoate Traditional Name: 2-methyl-2-nonyl-undecanoic acid [3-[[3-(aminomethyl)-3,5,5-trimethyl-cyclohexyl]amino]-2-hydroxy-propyl] ester Formula: C34H68N2O3 MolecularWeight: 552.91532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)(CCCCCCCCC)C(=O)OCC(CNC1CC(CC(C1)(C)CN)(C)C)O

Isomeric SMILES

CCCCCCCCCC(C)(CCCCCCCCC)C(=O)OCC(CNC1CC(CC(C1)(C)CN)(C)C)O

InChI

InChI=1S/C34H68N2O3/c1-7-9-11-13-15-17-19-21-34(6,22-20-18-16-14-12-10-8-2)31(38)39-26-30(37)25-36-29-23-32(3,4)27-33(5,24-29)28-35/h29-30,36-37H,7-28,35H2,1-6H3