3-[1,3-benzodioxol-5-ylmethyl-[(3-phenoxyphenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[1,3-benzodioxol-5-ylmethyl-[(3-phenoxyphenyl)methyl]amino]propanoic acid Openeye Name: 3-[1,3-benzodioxol-5-ylmethyl-[(3-phenoxyphenyl)methyl]amino]propanoic acid CAS Name: 3-[1,3-benzodioxol-5-ylmethyl-[(3-phenoxyphenyl)methyl]amino]propanoic acid IUPAC Name: 3-[1,3-benzodioxol-5-ylmethyl-[(3-phenoxyphenyl)methyl]amino]propanoic acid Traditional Name: 3-[(3-phenoxybenzyl)-piperonyl-amino]propionic acid Formula: C24H23NO5 MolecularWeight: 405.44312

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CCC(=O)O)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CCC(=O)O)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H23NO5/c26-24(27)11-12-25(16-19-9-10-22-23(14-19)29-17-28-22)15-18-5-4-8-21(13-18)30-20-6-2-1-3-7-20/h1-10,13-14H,11-12,15-17H2,(H,26,27)