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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC2=CC3=C(C=C2)OCO3)CC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC2=CC3=C(C=C2)OCO3)CC(=O)O)C

InChI

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