[3-[[4-(aminomethyl)phenyl]methylamino]-2-oxidanyl-propyl] 2-methyl-2-nonyl-undecanoate

Systemtic Name: [3-[[4-(aminomethyl)phenyl]methylamino]-2-oxidanyl-propyl] 2-methyl-2-nonyl-undecanoate Openeye Name: [3-[[4-(aminomethyl)phenyl]methylamino]-2-hydroxy-propyl] 2-methyl-2-nonyl-undecanoate CAS Name: 2-methyl-2-nonylundecanoic acid [3-[[4-(aminomethyl)phenyl]methylamino]-2-hydroxypropyl] ester IUPAC Name: [3-[[4-(aminomethyl)phenyl]methylamino]-2-hydroxypropyl] 2-methyl-2-nonylundecanoate Traditional Name: 2-methyl-2-nonyl-undecanoic acid [3-[[4-(aminomethyl)benzyl]amino]-2-hydroxy-propyl] ester Formula: C32H58N2O3 MolecularWeight: 518.81452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)(CCCCCCCCC)C(=O)OCC(CNCC1=CC=C(C=C1)CN)O

Isomeric SMILES

CCCCCCCCCC(C)(CCCCCCCCC)C(=O)OCC(CNCC1=CC=C(C=C1)CN)O

InChI

InChI=1S/C32H58N2O3/c1-4-6-8-10-12-14-16-22-32(3,23-17-15-13-11-9-7-5-2)31(36)37-27-30(35)26-34-25-29-20-18-28(24-33)19-21-29/h18-21,30,34-35H,4-17,22-27,33H2,1-3H3