3-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-butan-1-amine

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-butan-1-amine Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-butan-1-amine CAS Name: 3-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-1-butanamine IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-4-phenylbutan-1-amine Traditional Name: [3-(1,3-benzodioxol-5-yl)-4-phenyl-butyl]-piperonyl-amine Formula: C25H25NO4 MolecularWeight: 403.4703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCCC(CC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCCC(CC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H25NO4/c1-2-4-18(5-3-1)12-21(20-7-9-23-25(14-20)30-17-28-23)10-11-26-15-19-6-8-22-24(13-19)29-16-27-22/h1-9,13-14,21,26H,10-12,15-17H2