2-[1,3-benzodioxol-5-ylmethyl-(4-ethylphenyl)amino]ethanoic acid

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl-(4-ethylphenyl)amino]ethanoic acid Openeye Name: 2-[N-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-anilino]acetic acid CAS Name: 2-[N-(1,3-benzodioxol-5-ylmethyl)-4-ethylanilino]acetic acid IUPAC Name: 2-[N-(1,3-benzodioxol-5-ylmethyl)-4-ethylanilino]acetic acid Traditional Name: 2-(4-ethyl-N-piperonyl-anilino)acetic acid Formula: C18H19NO4 MolecularWeight: 313.34776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(CC2=CC3=C(C=C2)OCO3)CC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)N(CC2=CC3=C(C=C2)OCO3)CC(=O)O

InChI

InChI=1S/C18H19NO4/c1-2-13-3-6-15(7-4-13)19(11-18(20)21)10-14-5-8-16-17(9-14)23-12-22-16/h3-9H,2,10-12H2,1H3,(H,20,21)