1-[1,3-benzodioxol-5-ylmethyl-[(2,5-dimethylphenyl)methyl]amino]-3-phenoxy-propan-2-ol

Systemtic Name: 1-[1,3-benzodioxol-5-ylmethyl-[(2,5-dimethylphenyl)methyl]amino]-3-phenoxy-propan-2-ol Openeye Name: 1-[1,3-benzodioxol-5-ylmethyl-[(2,5-dimethylphenyl)methyl]amino]-3-phenoxy-propan-2-ol CAS Name: 1-[1,3-benzodioxol-5-ylmethyl-[(2,5-dimethylphenyl)methyl]amino]-3-phenoxy-2-propanol IUPAC Name: 1-[1,3-benzodioxol-5-ylmethyl-[(2,5-dimethylphenyl)methyl]amino]-3-phenoxypropan-2-ol Traditional Name: 1-[(2,5-dimethylbenzyl)-piperonyl-amino]-3-phenoxy-propan-2-ol Formula: C26H29NO4 MolecularWeight: 419.51276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN(CC2=CC3=C(C=C2)OCO3)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN(CC2=CC3=C(C=C2)OCO3)CC(COC4=CC=CC=C4)O

InChI

InChI=1S/C26H29NO4/c1-19-8-9-20(2)22(12-19)15-27(14-21-10-11-25-26(13-21)31-18-30-25)16-23(28)17-29-24-6-4-3-5-7-24/h3-13,23,28H,14-18H2,1-2H3