3-[4-(aminomethyl)-2-ethoxy-phenoxy]azepan-2-one

Systemtic Name: 3-[4-(aminomethyl)-2-ethoxy-phenoxy]azepan-2-one Openeye Name: 3-[4-(aminomethyl)-2-ethoxy-phenoxy]azepan-2-one CAS Name: 3-[4-(aminomethyl)-2-ethoxyphenoxy]-2-azepanone IUPAC Name: 3-[4-(aminomethyl)-2-ethoxyphenoxy]azepan-2-one Traditional Name: 3-[4-(aminomethyl)-2-ethoxy-phenoxy]azepan-2-one Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN)OC2CCCCNC2=O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN)OC2CCCCNC2=O

InChI

InChI=1S/C15H22N2O3/c1-2-19-14-9-11(10-16)6-7-12(14)20-13-5-3-4-8-17-15(13)18/h6-7,9,13H,2-5,8,10,16H2,1H3,(H,17,18)