2,6-bis(azanyl)hexanoic acid; N-(4-methanoylphenyl)ethanamide; N-methylaniline

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; N-(4-methanoylphenyl)ethanamide; N-methylaniline Openeye Name: 2,6-diaminohexanoic acid; N-(4-formylphenyl)acetamide; N-methylaniline CAS Name: 2,6-diaminohexanoic acid; N-(4-formylphenyl)acetamide; N-methylaniline IUPAC Name: 2,6-diaminohexanoic acid; N-(4-formylphenyl)acetamide; N-methylaniline Traditional Name: 2,6-diaminohexanoic acid; N-(4-formylphenyl)acetamide; methyl(phenyl)amine Formula: C22H32N4O4 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=O.CNC1=CC=CC=C1.C(CCN)CC(C(=O)O)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C=O.CNC1=CC=CC=C1.C(CCN)CC(C(=O)O)N

InChI

InChI=1S/C9H9NO2.C7H9N.C6H14N2O2/c1-7(12)10-9-4-2-8(6-11)3-5-9;1-8-7-5-3-2-4-6-7;7-4-2-1-3-5(8)6(9)10/h2-6H,1H3,(H,10,12);2-6,8H,1H3;5H,1-4,7-8H2,(H,9,10)