2-(azepan-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanamine

Systemtic Name: 2-(azepan-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanamine Openeye Name: 2-(azepan-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanamine CAS Name: 2-(1-azepanyl)-2-(3,4,5-trimethoxyphenyl)ethanamine IUPAC Name: 2-(azepan-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanamine Traditional Name: [2-(azepan-1-yl)-2-(3,4,5-trimethoxyphenyl)ethyl]amine Formula: C17H28N2O3 MolecularWeight: 308.41582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(CN)N2CCCCCC2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(CN)N2CCCCCC2

InChI

InChI=1S/C17H28N2O3/c1-20-15-10-13(11-16(21-2)17(15)22-3)14(12-18)19-8-6-4-5-7-9-19/h10-11,14H,4-9,12,18H2,1-3H3