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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)(C(CCCCCCCC)NC1CC(CC(C1)(C)CN)(C)C)C(=O)OCC(C)O

Isomeric SMILES

CCCCCCCCCC(C)(C(CCCCCCCC)NC1CC(CC(C1)(C)CN)(C)C)C(=O)OCC(C)O

InChI

InChI=1S/C34H68N2O3/c1-8-10-12-14-16-18-20-22-34(7,31(38)39-25-28(3)37)30(21-19-17-15-13-11-9-2)36-29-23-32(4,5)26-33(6,24-29)27-35/h28-30,36-37H,8-27,35H2,1-7H3