4-[[4-[1,3-benzodioxol-5-ylmethyl(3-phenylpropyl)amino]cyclohexyl]methyl]cyclohexan-1-amine

Systemtic Name: 4-[[4-[1,3-benzodioxol-5-ylmethyl(3-phenylpropyl)amino]cyclohexyl]methyl]cyclohexan-1-amine Openeye Name: 4-[[4-[1,3-benzodioxol-5-ylmethyl(3-phenylpropyl)amino]cyclohexyl]methyl]cyclohexanamine CAS Name: 4-[[4-[1,3-benzodioxol-5-ylmethyl(3-phenylpropyl)amino]cyclohexyl]methyl]-1-cyclohexanamine IUPAC Name: 4-[[4-[1,3-benzodioxol-5-ylmethyl(3-phenylpropyl)amino]cyclohexyl]methyl]cyclohexan-1-amine Traditional Name: [4-[(4-aminocyclohexyl)methyl]cyclohexyl]-(3-phenylpropyl)-piperonyl-amine Formula: C30H42N2O2 MolecularWeight: 462.66668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CC2CCC(CC2)N(CCCC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

C1CC(CCC1CC2CCC(CC2)N(CCCC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C30H42N2O2/c31-27-13-8-24(9-14-27)19-25-10-15-28(16-11-25)32(18-4-7-23-5-2-1-3-6-23)21-26-12-17-29-30(20-26)34-22-33-29/h1-3,5-6,12,17,20,24-25,27-28H,4,7-11,13-16,18-19,21-22,31H2