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

Systemtic Name: 3-[1,3-benzodioxol-5-ylmethyl-[(4-chlorophenyl)methyl]amino]propanoic acid Openeye Name: 3-[1,3-benzodioxol-5-ylmethyl-[(4-chlorophenyl)methyl]amino]propanoic acid CAS Name: 3-[1,3-benzodioxol-5-ylmethyl-[(4-chlorophenyl)methyl]amino]propanoic acid IUPAC Name: 3-[1,3-benzodioxol-5-ylmethyl-[(4-chlorophenyl)methyl]amino]propanoic acid Traditional Name: 3-[(4-chlorobenzyl)-piperonyl-amino]propionic acid Formula: C18H18ClNO4 MolecularWeight: 347.79282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO4/c19-15-4-1-13(2-5-15)10-20(8-7-18(21)22)11-14-3-6-16-17(9-14)24-12-23-16/h1-6,9H,7-8,10-12H2,(H,21,22)