3-[[4-[[1,3-benzodioxol-5-ylmethyl(3,3-diphenylpropyl)amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[1,3-benzodioxol-5-ylmethyl(3,3-diphenylpropyl)amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[1,3-benzodioxol-5-ylmethyl(3,3-diphenylpropyl)amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[1,3-benzodioxol-5-ylmethyl(3,3-diphenylpropyl)amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[1,3-benzodioxol-5-ylmethyl(3,3-diphenylpropyl)amino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[3,3-diphenylpropyl(piperonyl)amino]methyl]benzoyl]amino]propionic acid Formula: C34H34N2O5 MolecularWeight: 550.64416

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CCC(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=C(C=C5)C(=O)NCCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CCC(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=C(C=C5)C(=O)NCCC(=O)O

InChI

InChI=1S/C34H34N2O5/c37-33(38)17-19-35-34(39)29-14-11-25(12-15-29)22-36(23-26-13-16-31-32(21-26)41-24-40-31)20-18-30(27-7-3-1-4-8-27)28-9-5-2-6-10-28/h1-16,21,30H,17-20,22-24H2,(H,35,39)(H,37,38)