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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)(C(CCCCCCCC)NCC1=CC=C(C=C1)CN)C(=O)OCC(C)O

Isomeric SMILES

CCCCCCCCCC(C)(C(CCCCCCCC)NCC1=CC=C(C=C1)CN)C(=O)OCC(C)O

InChI

InChI=1S/C32H58N2O3/c1-5-7-9-11-13-15-17-23-32(4,31(36)37-26-27(3)35)30(18-16-14-12-10-8-6-2)34-25-29-21-19-28(24-33)20-22-29/h19-22,27,30,34-35H,5-18,23-26,33H2,1-4H3