ethanedioate; methyl 2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]benzoate

Systemtic Name: ethanedioate; methyl 2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]benzoate Openeye Name: methyl 2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]benzoate; oxalate CAS Name: 2-[4-(2,6-dimethyl-4-morpholinyl)butoxy]benzoic acid methyl ester; oxalate IUPAC Name: methyl 2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]benzoate; oxalate Traditional Name: 2-[4-(2,6-dimethylmorpholino)butoxy]benzoic acid methyl ester; oxalate Formula: C20H27NO8-2 MolecularWeight: 409.43028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)CCCCOC2=CC=CC=C2C(=O)OC.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC1CN(CC(O1)C)CCCCOC2=CC=CC=C2C(=O)OC.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C18H27NO4.C2H2O4/c1-14-12-19(13-15(2)23-14)10-6-7-11-22-17-9-5-4-8-16(17)18(20)21-3;3-1(4)2(5)6/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3;(H,3,4)(H,5,6)/p-2