(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[methyl(piperonyl)amino]-3-phenyl-propionic acid Formula: C18H19NO4 MolecularWeight: 313.34776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)C(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)[C@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H19NO4/c1-19(11-14-7-8-16-17(10-14)23-12-22-16)15(18(20)21)9-13-5-3-2-4-6-13/h2-8,10,15H,9,11-12H2,1H3,(H,20,21)/t15-/m1/s1