3-[5-(azepan-1-ylmethyl)-2-methoxy-phenyl]propanoic acid

Systemtic Name: 3-[5-(azepan-1-ylmethyl)-2-methoxy-phenyl]propanoic acid Openeye Name: 3-[5-(azepan-1-ylmethyl)-2-methoxy-phenyl]propanoic acid CAS Name: 3-[5-(1-azepanylmethyl)-2-methoxyphenyl]propanoic acid IUPAC Name: 3-[5-(azepan-1-ylmethyl)-2-methoxyphenyl]propanoic acid Traditional Name: 3-[5-(azepan-1-ylmethyl)-2-methoxy-phenyl]propionic acid Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCCCCC2)CCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCCCCC2)CCC(=O)O

InChI

InChI=1S/C17H25NO3/c1-21-16-8-6-14(12-15(16)7-9-17(19)20)13-18-10-4-2-3-5-11-18/h6,8,12H,2-5,7,9-11,13H2,1H3,(H,19,20)