5-(1,3-benzodioxol-5-ylmethylamino)-2-morpholin-4-yl-benzoic acid

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-morpholin-4-yl-benzoic acid Openeye Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-morpholino-benzoic acid CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-morpholinyl)benzoic acid IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-morpholin-4-ylbenzoic acid Traditional Name: 2-morpholino-5-(piperonylamino)benzoic acid Formula: C19H20N2O5 MolecularWeight: 356.3725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NCC3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NCC3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C19H20N2O5/c22-19(23)15-10-14(2-3-16(15)21-5-7-24-8-6-21)20-11-13-1-4-17-18(9-13)26-12-25-17/h1-4,9-10,20H,5-8,11-12H2,(H,22,23)