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

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl-(4-methylphenyl)amino]ethanoic acid Openeye Name: 2-[N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-anilino]acetic acid CAS Name: 2-[N-(1,3-benzodioxol-5-ylmethyl)-4-methylanilino]acetic acid IUPAC Name: 2-[N-(1,3-benzodioxol-5-ylmethyl)-4-methylanilino]acetic acid Traditional Name: 2-(4-methyl-N-piperonyl-anilino)acetic acid Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4/c1-12-2-5-14(6-3-12)18(10-17(19)20)9-13-4-7-15-16(8-13)22-11-21-15/h2-8H,9-11H2,1H3,(H,19,20)