2,6-bis(azanyl)hexanoic acid; N-(4-methanoylphenyl)ethanamide; [2-(trifluoromethyl)phenyl]methanamine

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; N-(4-methanoylphenyl)ethanamide; [2-(trifluoromethyl)phenyl]methanamine Openeye Name: 2,6-diaminohexanoic acid; N-(4-formylphenyl)acetamide; [2-(trifluoromethyl)phenyl]methanamine CAS Name: 2,6-diaminohexanoic acid; N-(4-formylphenyl)acetamide; [2-(trifluoromethyl)phenyl]methanamine IUPAC Name: 2,6-diaminohexanoic acid; N-(4-formylphenyl)acetamide; [2-(trifluoromethyl)phenyl]methanamine Traditional Name: 2,6-diaminohexanoic acid; N-(4-formylphenyl)acetamide; [2-(trifluoromethyl)benzyl]amine Formula: C23H31F3N4O4 MolecularWeight: 484.51185

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=O.C1=CC=C(C(=C1)CN)C(F)(F)F.C(CCN)CC(C(=O)O)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C=O.C1=CC=C(C(=C1)CN)C(F)(F)F.C(CCN)CC(C(=O)O)N

InChI

InChI=1S/C9H9NO2.C8H8F3N.C6H14N2O2/c1-7(12)10-9-4-2-8(6-11)3-5-9;9-8(10,11)7-4-2-1-3-6(7)5-12;7-4-2-1-3-5(8)6(9)10/h2-6H,1H3,(H,10,12);1-4H,5,12H2;5H,1-4,7-8H2,(H,9,10)