N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-[(2-ethoxyphenyl)methyl]cycloheptanamine

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-[(2-ethoxyphenyl)methyl]cycloheptanamine Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-[(2-ethoxyphenyl)methyl]cycloheptanamine CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-[(2-ethoxyphenyl)methyl]cycloheptanamine IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-[(2-ethoxyphenyl)methyl]cycloheptanamine Traditional Name: cycloheptyl-(2-ethoxybenzyl)-homopiperonyl-amine Formula: C25H33NO3 MolecularWeight: 395.53442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN(CCC2=CC3=C(C=C2)OCO3)C4CCCCCC4

Isomeric SMILES

CCOC1=CC=CC=C1CN(CCC2=CC3=C(C=C2)OCO3)C4CCCCCC4

InChI

InChI=1S/C25H33NO3/c1-2-27-23-12-8-7-9-21(23)18-26(22-10-5-3-4-6-11-22)16-15-20-13-14-24-25(17-20)29-19-28-24/h7-9,12-14,17,22H,2-6,10-11,15-16,18-19H2,1H3