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

Systemtic Name: 1-[1,3-benzodioxol-5-ylmethyl-[(2,5-dimethylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol Openeye Name: 1-[1,3-benzodioxol-5-ylmethyl-[(2,5-dimethylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol CAS Name: 1-[1,3-benzodioxol-5-ylmethyl-[(2,5-dimethylphenyl)methyl]amino]-3-(2-methylphenoxy)-2-propanol IUPAC Name: 1-[1,3-benzodioxol-5-ylmethyl-[(2,5-dimethylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol Traditional Name: 1-[(2,5-dimethylbenzyl)-piperonyl-amino]-3-(2-methylphenoxy)propan-2-ol Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN(CC2=CC3=C(C=C2)OCO3)CC(COC4=CC=CC=C4C)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN(CC2=CC3=C(C=C2)OCO3)CC(COC4=CC=CC=C4C)O

InChI

InChI=1S/C27H31NO4/c1-19-8-9-20(2)23(12-19)15-28(14-22-10-11-26-27(13-22)32-18-31-26)16-24(29)17-30-25-7-5-4-6-21(25)3/h4-13,24,29H,14-18H2,1-3H3