methyl 3-[4-(3-azanyl-2-oxidanyl-propoxy)phenyl]propanoate

Systemtic Name: methyl 3-[4-(3-azanyl-2-oxidanyl-propoxy)phenyl]propanoate Openeye Name: methyl 3-[4-(3-amino-2-hydroxy-propoxy)phenyl]propanoate CAS Name: 3-[4-(3-amino-2-hydroxypropoxy)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(3-amino-2-hydroxypropoxy)phenyl]propanoate Traditional Name: 3-[4-(3-amino-2-hydroxy-propoxy)phenyl]propionic acid methyl ester Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)OCC(CN)O

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)OCC(CN)O

InChI

InChI=1S/C13H19NO4/c1-17-13(16)7-4-10-2-5-12(6-3-10)18-9-11(15)8-14/h2-3,5-6,11,15H,4,7-9,14H2,1H3