3-azanyl-3-(5-chloranyl-2-ethoxy-4-methyl-phenyl)propanoic acid

Systemtic Name: 3-azanyl-3-(5-chloranyl-2-ethoxy-4-methyl-phenyl)propanoic acid Openeye Name: 3-amino-3-(5-chloro-2-ethoxy-4-methyl-phenyl)propanoic acid CAS Name: 3-amino-3-(5-chloro-2-ethoxy-4-methylphenyl)propanoic acid IUPAC Name: 3-amino-3-(5-chloro-2-ethoxy-4-methylphenyl)propanoic acid Traditional Name: 3-amino-3-(5-chloro-2-ethoxy-4-methyl-phenyl)propionic acid Formula: C12H16ClNO3 MolecularWeight: 257.71334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C)Cl)C(CC(=O)O)N

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C)Cl)C(CC(=O)O)N

InChI

InChI=1S/C12H16ClNO3/c1-3-17-11-4-7(2)9(13)5-8(11)10(14)6-12(15)16/h4-5,10H,3,6,14H2,1-2H3,(H,15,16)