ethanedioic acid; 1-[(2-methyl-2-morpholin-4-yl-propyl)amino]-3-(3-methylphenoxy)propan-2-ol

Systemtic Name: ethanedioic acid; 1-[(2-methyl-2-morpholin-4-yl-propyl)amino]-3-(3-methylphenoxy)propan-2-ol Openeye Name: 1-[(2-methyl-2-morpholino-propyl)amino]-3-(3-methylphenoxy)propan-2-ol; oxalic acid CAS Name: 1-[[2-methyl-2-(4-morpholinyl)propyl]amino]-3-(3-methylphenoxy)-2-propanol; oxalic acid IUPAC Name: 1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-(3-methylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-[(2-methyl-2-morpholino-propyl)amino]-3-(3-methylphenoxy)propan-2-ol; oxalic acid Formula: C20H32N2O7 MolecularWeight: 412.47728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CNCC(C)(C)N2CCOCC2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CNCC(C)(C)N2CCOCC2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H30N2O3.C2H2O4/c1-15-5-4-6-17(11-15)23-13-16(21)12-19-14-18(2,3)20-7-9-22-10-8-20;3-1(4)2(5)6/h4-6,11,16,19,21H,7-10,12-14H2,1-3H3;(H,3,4)(H,5,6)