3-[4-(1-azanylethyl)-2-methoxy-phenoxy]azepan-2-one

Systemtic Name: 3-[4-(1-azanylethyl)-2-methoxy-phenoxy]azepan-2-one Openeye Name: 3-[4-(1-aminoethyl)-2-methoxy-phenoxy]azepan-2-one CAS Name: 3-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-azepanone IUPAC Name: 3-[4-(1-aminoethyl)-2-methoxyphenoxy]azepan-2-one Traditional Name: 3-[4-(1-aminoethyl)-2-methoxy-phenoxy]azepan-2-one Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC2CCCCNC2=O)OC)N

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC2CCCCNC2=O)OC)N

InChI

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