1-[1,3-benzodioxol-5-ylmethyl-(phenylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol

Systemtic Name: 1-[1,3-benzodioxol-5-ylmethyl-(phenylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol Openeye Name: 1-[1,3-benzodioxol-5-ylmethyl(benzyl)amino]-3-(2-methylphenoxy)propan-2-ol CAS Name: 1-[1,3-benzodioxol-5-ylmethyl-(phenylmethyl)amino]-3-(2-methylphenoxy)-2-propanol IUPAC Name: 1-[1,3-benzodioxol-5-ylmethyl(benzyl)amino]-3-(2-methylphenoxy)propan-2-ol Traditional Name: 1-[benzyl(piperonyl)amino]-3-(2-methylphenoxy)propan-2-ol Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN(CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CN(CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C25H27NO4/c1-19-7-5-6-10-23(19)28-17-22(27)16-26(14-20-8-3-2-4-9-20)15-21-11-12-24-25(13-21)30-18-29-24/h2-13,22,27H,14-18H2,1H3