4-(1,3-benzodioxol-5-yl)-1-(4-ethoxyphenyl)-2-naphthalen-2-yl-butan-2-amine

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-(4-ethoxyphenyl)-2-naphthalen-2-yl-butan-2-amine Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-(4-ethoxyphenyl)-2-(2-naphthyl)butan-2-amine CAS Name: 4-(1,3-benzodioxol-5-yl)-1-(4-ethoxyphenyl)-2-(2-naphthalenyl)-2-butanamine IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-(4-ethoxyphenyl)-2-naphthalen-2-ylbutan-2-amine Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-(4-ethoxybenzyl)-1-(2-naphthyl)propyl]amine Formula: C29H29NO3 MolecularWeight: 439.54546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(CCC2=CC3=C(C=C2)OCO3)(C4=CC5=CC=CC=C5C=C4)N

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(CCC2=CC3=C(C=C2)OCO3)(C4=CC5=CC=CC=C5C=C4)N

InChI

InChI=1S/C29H29NO3/c1-2-31-26-12-7-22(8-13-26)19-29(30,25-11-10-23-5-3-4-6-24(23)18-25)16-15-21-9-14-27-28(17-21)33-20-32-27/h3-14,17-18H,2,15-16,19-20,30H2,1H3