4-(1,3-benzodioxol-4-ylmethylamino)benzoic acid

Systemtic Name: 4-(1,3-benzodioxol-4-ylmethylamino)benzoic acid Openeye Name: 4-(1,3-benzodioxol-4-ylmethylamino)benzoic acid CAS Name: 4-(1,3-benzodioxol-4-ylmethylamino)benzoic acid IUPAC Name: 4-(1,3-benzodioxol-4-ylmethylamino)benzoic acid Traditional Name: 4-(1,3-benzodioxol-4-ylmethylamino)benzoic acid Formula: C15H13NO4 MolecularWeight: 271.26802

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)CNC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1OC2=CC=CC(=C2O1)CNC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H13NO4/c17-15(18)10-4-6-12(7-5-10)16-8-11-2-1-3-13-14(11)20-9-19-13/h1-7,16H,8-9H2,(H,17,18)