3-[(2,4,5-trimethylphenyl)methylamino]propanoic acid

Systemtic Name: 3-[(2,4,5-trimethylphenyl)methylamino]propanoic acid Openeye Name: 3-[(2,4,5-trimethylphenyl)methylamino]propanoic acid CAS Name: 3-[(2,4,5-trimethylphenyl)methylamino]propanoic acid IUPAC Name: 3-[(2,4,5-trimethylphenyl)methylamino]propanoic acid Traditional Name: 3-[(2,4,5-trimethylbenzyl)amino]propionic acid Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)CNCCC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1C)CNCCC(=O)O)C

InChI

InChI=1S/C13H19NO2/c1-9-6-11(3)12(7-10(9)2)8-14-5-4-13(15)16/h6-7,14H,4-5,8H2,1-3H3,(H,15,16)