[4-[[1,3-benzodioxol-5-ylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine

Systemtic Name: [4-[[1,3-benzodioxol-5-ylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine Openeye Name: [4-[[1,3-benzodioxol-5-ylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine CAS Name: [4-[[1,3-benzodioxol-5-ylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine IUPAC Name: [4-[[1,3-benzodioxol-5-ylmethyl-[(3-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine Traditional Name: [4-(aminomethyl)benzyl]-(3-phenoxybenzyl)-piperonyl-amine Formula: C29H28N2O3 MolecularWeight: 452.54422

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=C(C=C3)CN)CC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=C(C=C3)CN)CC4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C29H28N2O3/c30-17-22-9-11-23(12-10-22)18-31(20-25-13-14-28-29(16-25)33-21-32-28)19-24-5-4-8-27(15-24)34-26-6-2-1-3-7-26/h1-16H,17-21,30H2