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

Systemtic Name: 3-[2-(aminomethyl)-5-propoxy-phenoxy]azepan-2-one Openeye Name: 3-[2-(aminomethyl)-5-propoxy-phenoxy]azepan-2-one CAS Name: 3-[2-(aminomethyl)-5-propoxyphenoxy]-2-azepanone IUPAC Name: 3-[2-(aminomethyl)-5-propoxyphenoxy]azepan-2-one Traditional Name: 3-[2-(aminomethyl)-5-propoxy-phenoxy]azepan-2-one Formula: C16H24N2O3 MolecularWeight: 292.37336

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)CN)OC2CCCCNC2=O

Isomeric SMILES

CCCOC1=CC(=C(C=C1)CN)OC2CCCCNC2=O

InChI

InChI=1S/C16H24N2O3/c1-2-9-20-13-7-6-12(11-17)15(10-13)21-14-5-3-4-8-18-16(14)19/h6-7,10,14H,2-5,8-9,11,17H2,1H3,(H,18,19)