methyl 3-[4-(6-azanyl-1-oxidanyl-hexyl)phenyl]propanoate

Systemtic Name: methyl 3-[4-(6-azanyl-1-oxidanyl-hexyl)phenyl]propanoate Openeye Name: methyl 3-[4-(6-amino-1-hydroxy-hexyl)phenyl]propanoate CAS Name: 3-[4-(6-amino-1-hydroxyhexyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(6-amino-1-hydroxyhexyl)phenyl]propanoate Traditional Name: 3-[4-(6-amino-1-hydroxy-hexyl)phenyl]propionic acid methyl ester Formula: C16H25NO3 MolecularWeight: 279.3746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C(CCCCCN)O

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C(CCCCCN)O

InChI

InChI=1S/C16H25NO3/c1-20-16(19)11-8-13-6-9-14(10-7-13)15(18)5-3-2-4-12-17/h6-7,9-10,15,18H,2-5,8,11-12,17H2,1H3