2-[2-(2-azanylpropyl)-4,5-dimethyl-phenyl]ethanoic acid

Systemtic Name: 2-[2-(2-azanylpropyl)-4,5-dimethyl-phenyl]ethanoic acid Openeye Name: 2-[2-(2-aminopropyl)-4,5-dimethyl-phenyl]acetic acid CAS Name: 2-[2-(2-aminopropyl)-4,5-dimethylphenyl]acetic acid IUPAC Name: 2-[2-(2-aminopropyl)-4,5-dimethylphenyl]acetic acid Traditional Name: 2-[2-(2-aminopropyl)-4,5-dimethyl-phenyl]acetic acid Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2/c1-8-4-11(6-10(3)14)12(5-9(8)2)7-13(15)16/h4-5,10H,6-7,14H2,1-3H3,(H,15,16)