4-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)benzoic acid

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)benzoic acid Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)benzoic acid CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)benzoic acid IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)benzoic acid Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)benzoic acid Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC=C2O1)CNC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1COC2=C(C=CC=C2O1)CNC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H15NO4/c18-16(19)11-4-6-13(7-5-11)17-10-12-2-1-3-14-15(12)21-9-8-20-14/h1-7,17H,8-10H2,(H,18,19)