ethanedioate; 2-[2-methyl-4-(2-morpholin-4-ylethyl)-1,3-benzodioxol-2-yl]ethanoate

Systemtic Name: ethanedioate; 2-[2-methyl-4-(2-morpholin-4-ylethyl)-1,3-benzodioxol-2-yl]ethanoate Openeye Name: 2-[2-methyl-4-(2-morpholinoethyl)-1,3-benzodioxol-2-yl]acetate; oxalate CAS Name: 2-[2-methyl-4-[2-(4-morpholinyl)ethyl]-1,3-benzodioxol-2-yl]acetate; oxalate IUPAC Name: 2-[2-methyl-4-(2-morpholin-4-ylethyl)-1,3-benzodioxol-2-yl]acetate; oxalate Traditional Name: 2-[2-methyl-4-(2-morpholinoethyl)-1,3-benzodioxol-2-yl]acetate; oxalate Formula: C18H20NO9-3 MolecularWeight: 394.3527

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2=CC=CC(=C2O1)CCN3CCOCC3)CC(=O)[O-].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC1(OC2=CC=CC(=C2O1)CCN3CCOCC3)CC(=O)[O-].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C16H21NO5.C2H2O4/c1-16(11-14(18)19)21-13-4-2-3-12(15(13)22-16)5-6-17-7-9-20-10-8-17;3-1(4)2(5)6/h2-4H,5-11H2,1H3,(H,18,19);(H,3,4)(H,5,6)/p-3