methyl 3-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]propanoate

Systemtic Name: methyl 3-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]propanoate Openeye Name: methyl 3-[(4-hydroxy-3,5-dimethyl-phenyl)methylamino]propanoate CAS Name: 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]propanoate Traditional Name: 3-[(4-hydroxy-3,5-dimethyl-benzyl)amino]propionic acid methyl ester Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CNCCC(=O)OC

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CNCCC(=O)OC

InChI

InChI=1S/C13H19NO3/c1-9-6-11(7-10(2)13(9)16)8-14-5-4-12(15)17-3/h6-7,14,16H,4-5,8H2,1-3H3