3-[1,3-benzodioxol-5-ylmethyl(2,2-diphenylethyl)amino]propanoic acid

Systemtic Name: 3-[1,3-benzodioxol-5-ylmethyl(2,2-diphenylethyl)amino]propanoic acid Openeye Name: 3-[1,3-benzodioxol-5-ylmethyl(2,2-diphenylethyl)amino]propanoic acid CAS Name: 3-[1,3-benzodioxol-5-ylmethyl(2,2-diphenylethyl)amino]propanoic acid IUPAC Name: 3-[1,3-benzodioxol-5-ylmethyl(2,2-diphenylethyl)amino]propanoic acid Traditional Name: 3-[2,2-diphenylethyl(piperonyl)amino]propionic acid Formula: C25H25NO4 MolecularWeight: 403.4703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO4/c27-25(28)13-14-26(16-19-11-12-23-24(15-19)30-18-29-23)17-22(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,15,22H,13-14,16-18H2,(H,27,28)