ethanedioic acid; 1-(5-methyl-2-propan-2-yl-phenoxy)-3-(oxolan-2-ylmethylamino)propan-2-ol

Systemtic Name: ethanedioic acid; 1-(5-methyl-2-propan-2-yl-phenoxy)-3-(oxolan-2-ylmethylamino)propan-2-ol Openeye Name: 1-(2-isopropyl-5-methyl-phenoxy)-3-(tetrahydrofuran-2-ylmethylamino)propan-2-ol; oxalic acid CAS Name: 1-(5-methyl-2-propan-2-ylphenoxy)-3-(2-oxolanylmethylamino)-2-propanol; oxalic acid IUPAC Name: 1-(5-methyl-2-propan-2-ylphenoxy)-3-(oxolan-2-ylmethylamino)propan-2-ol; oxalic acid Traditional Name: 1-(2-isopropyl-5-methyl-phenoxy)-3-(tetrahydrofurfurylamino)propan-2-ol; oxalic acid Formula: C20H31NO7 MolecularWeight: 397.46264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(CNCC2CCCO2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(CNCC2CCCO2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H29NO3.C2H2O4/c1-13(2)17-7-6-14(3)9-18(17)22-12-15(20)10-19-11-16-5-4-8-21-16;3-1(4)2(5)6/h6-7,9,13,15-16,19-20H,4-5,8,10-12H2,1-3H3;(H,3,4)(H,5,6)