3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]benzoic acid

Systemtic Name: 3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]benzoic acid Openeye Name: 3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]benzoic acid CAS Name: 3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]benzoic acid IUPAC Name: 3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]benzoic acid Traditional Name: 3-[ethyl(piperonyl)amino]benzoic acid Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H17NO4/c1-2-18(14-5-3-4-13(9-14)17(19)20)10-12-6-7-15-16(8-12)22-11-21-15/h3-9H,2,10-11H2,1H3,(H,19,20)