3-[5-(aminomethyl)-2-methoxy-phenoxy]azepan-2-one

Systemtic Name: 3-[5-(aminomethyl)-2-methoxy-phenoxy]azepan-2-one Openeye Name: 3-[5-(aminomethyl)-2-methoxy-phenoxy]azepan-2-one CAS Name: 3-[5-(aminomethyl)-2-methoxyphenoxy]-2-azepanone IUPAC Name: 3-[5-(aminomethyl)-2-methoxyphenoxy]azepan-2-one Traditional Name: 3-[5-(aminomethyl)-2-methoxy-phenoxy]azepan-2-one Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN)OC2CCCCNC2=O

Isomeric SMILES

COC1=C(C=C(C=C1)CN)OC2CCCCNC2=O

InChI

InChI=1S/C14H20N2O3/c1-18-11-6-5-10(9-15)8-13(11)19-12-4-2-3-7-16-14(12)17/h5-6,8,12H,2-4,7,9,15H2,1H3,(H,16,17)