methyl 4-[[1,3-benzodioxol-5-ylmethyl(3-phenylpropyl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[1,3-benzodioxol-5-ylmethyl(3-phenylpropyl)amino]methyl]benzoate Openeye Name: methyl 4-[[1,3-benzodioxol-5-ylmethyl(3-phenylpropyl)amino]methyl]benzoate CAS Name: 4-[[1,3-benzodioxol-5-ylmethyl(3-phenylpropyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1,3-benzodioxol-5-ylmethyl(3-phenylpropyl)amino]methyl]benzoate Traditional Name: 4-[[3-phenylpropyl(piperonyl)amino]methyl]benzoic acid methyl ester Formula: C26H27NO4 MolecularWeight: 417.49688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(CCCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(CCCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H27NO4/c1-29-26(28)23-12-9-21(10-13-23)17-27(15-5-8-20-6-3-2-4-7-20)18-22-11-14-24-25(16-22)31-19-30-24/h2-4,6-7,9-14,16H,5,8,15,17-19H2,1H3