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

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

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(COCC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN(CC2=CC3=C(C=C2)OCO3)CC(COCC4=CC=CC=C4)O

InChI

InChI=1S/C27H31NO4/c1-20-8-9-21(2)24(12-20)15-28(14-23-10-11-26-27(13-23)32-19-31-26)16-25(29)18-30-17-22-6-4-3-5-7-22/h3-13,25,29H,14-19H2,1-2H3