2-azanyl-3-phenyl-propanoic acid; 2-[4-(2-methylpropyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-phenyl-propanoic acid; 2-[4-(2-methylpropyl)phenyl]propanoic acid Openeye Name: 2-amino-3-phenyl-propanoic acid; 2-(4-isobutylphenyl)propanoic acid CAS Name: 2-amino-3-phenylpropanoic acid; 2-[4-(2-methylpropyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-phenylpropanoic acid; 2-[4-(2-methylpropyl)phenyl]propanoic acid Traditional Name: 2-amino-3-phenyl-propionic acid; 2-(4-isobutylphenyl)propionic acid Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2.C9H11NO2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;10-8(9(11)12)6-7-4-2-1-3-5-7/h4-7,9-10H,8H2,1-3H3,(H,14,15);1-5,8H,6,10H2,(H,11,12)