2-azanylhexanoic acid; 2-[4-(2-methylpropyl)phenyl]propanoic acid

Systemtic Name: 2-azanylhexanoic acid; 2-[4-(2-methylpropyl)phenyl]propanoic acid Openeye Name: 2-aminohexanoic acid; 2-(4-isobutylphenyl)propanoic acid CAS Name: 2-aminohexanoic acid; 2-[4-(2-methylpropyl)phenyl]propanoic acid IUPAC Name: 2-aminohexanoic acid; 2-[4-(2-methylpropyl)phenyl]propanoic acid Traditional Name: 2-aminohexanoic acid; 2-(4-isobutylphenyl)propionic acid Formula: C19H31NO4 MolecularWeight: 337.45374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)N.CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

Isomeric SMILES

CCCCC(C(=O)O)N.CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

InChI

InChI=1S/C13H18O2.C6H13NO2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;1-2-3-4-5(7)6(8)9/h4-7,9-10H,8H2,1-3H3,(H,14,15);5H,2-4,7H2,1H3,(H,8,9)