[3-[[4-(aminomethyl)phenyl]methylamino]-2-oxidanyl-propyl] 7,7-dimethyloctanoate

Systemtic Name: [3-[[4-(aminomethyl)phenyl]methylamino]-2-oxidanyl-propyl] 7,7-dimethyloctanoate Openeye Name: [3-[[4-(aminomethyl)phenyl]methylamino]-2-hydroxy-propyl] 7,7-dimethyloctanoate CAS Name: 7,7-dimethyloctanoic acid [3-[[4-(aminomethyl)phenyl]methylamino]-2-hydroxypropyl] ester IUPAC Name: [3-[[4-(aminomethyl)phenyl]methylamino]-2-hydroxypropyl] 7,7-dimethyloctanoate Traditional Name: 7,7-dimethylcaprylic acid [3-[[4-(aminomethyl)benzyl]amino]-2-hydroxy-propyl] ester Formula: C21H36N2O3 MolecularWeight: 364.52214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCCCC(=O)OCC(CNCC1=CC=C(C=C1)CN)O

Isomeric SMILES

CC(C)(C)CCCCCC(=O)OCC(CNCC1=CC=C(C=C1)CN)O

InChI

InChI=1S/C21H36N2O3/c1-21(2,3)12-6-4-5-7-20(25)26-16-19(24)15-23-14-18-10-8-17(13-22)9-11-18/h8-11,19,23-24H,4-7,12-16,22H2,1-3H3