4-(3,4-dimethoxyphenoxy)-1,3-dimethyl-azepane

Systemtic Name: 4-(3,4-dimethoxyphenoxy)-1,3-dimethyl-azepane Openeye Name: 4-(3,4-dimethoxyphenoxy)-1,3-dimethyl-azepane CAS Name: 4-(3,4-dimethoxyphenoxy)-1,3-dimethylazepane IUPAC Name: 4-(3,4-dimethoxyphenoxy)-1,3-dimethylazepane Traditional Name: 4-(3,4-dimethoxyphenoxy)-1,3-dimethyl-azepane Formula: C16H25NO3 MolecularWeight: 279.3746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCCC1OC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CC1CN(CCCC1OC2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C16H25NO3/c1-12-11-17(2)9-5-6-14(12)20-13-7-8-15(18-3)16(10-13)19-4/h7-8,10,12,14H,5-6,9,11H2,1-4H3