methyl 3-[(3-methoxy-4-oxidanyl-phenyl)methylamino]propanoate

Systemtic Name: methyl 3-[(3-methoxy-4-oxidanyl-phenyl)methylamino]propanoate Openeye Name: methyl 3-[(4-hydroxy-3-methoxy-phenyl)methylamino]propanoate CAS Name: 3-[(4-hydroxy-3-methoxyphenyl)methylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[(4-hydroxy-3-methoxyphenyl)methylamino]propanoate Traditional Name: 3-(vanillylamino)propionic acid methyl ester Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCCC(=O)OC)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNCCC(=O)OC)O

InChI

InChI=1S/C12H17NO4/c1-16-11-7-9(3-4-10(11)14)8-13-6-5-12(15)17-2/h3-4,7,13-14H,5-6,8H2,1-2H3