2,6-bis(azanyl)hexanoate; 2-[4-(2-methylpropyl)phenyl]propanoic acid

Systemtic Name: 2,6-bis(azanyl)hexanoate; 2-[4-(2-methylpropyl)phenyl]propanoic acid Openeye Name: 2,6-diaminohexanoate; 2-(4-isobutylphenyl)propanoic acid CAS Name: 2,6-diaminohexanoate; 2-[4-(2-methylpropyl)phenyl]propanoic acid IUPAC Name: 2,6-diaminohexanoate; 2-[4-(2-methylpropyl)phenyl]propanoic acid Traditional Name: 2,6-diaminohexanoate; 2-(4-isobutylphenyl)propionic acid Formula: C19H31N2O4- MolecularWeight: 351.46044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.C(CCN)CC(C(=O)[O-])N

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.C(CCN)CC(C(=O)[O-])N

InChI

InChI=1S/C13H18O2.C6H14N2O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;7-4-2-1-3-5(8)6(9)10/h4-7,9-10H,8H2,1-3H3,(H,14,15);5H,1-4,7-8H2,(H,9,10)/p-1