N4-(1,3-benzodioxol-5-ylmethyl)-N4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]cyclohexane-1,4-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-N4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]cyclohexane-1,4-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-N4-[(4-benzyloxy-3-methoxy-phenyl)methyl]cyclohexane-1,4-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-N4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-(4-benzoxy-3-methoxy-benzyl)-piperonyl-amine Formula: C29H34N2O4 MolecularWeight: 474.59126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(CC2=CC3=C(C=C2)OCO3)C4CCC(CC4)N)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)CN(CC2=CC3=C(C=C2)OCO3)C4CCC(CC4)N)OCC5=CC=CC=C5

InChI

InChI=1S/C29H34N2O4/c1-32-28-15-22(7-13-26(28)33-19-21-5-3-2-4-6-21)17-31(25-11-9-24(30)10-12-25)18-23-8-14-27-29(16-23)35-20-34-27/h2-8,13-16,24-25H,9-12,17-20,30H2,1H3