1-[bis(3-methylbutyl)amino]-3-(2,6-dimethylphenoxy)propan-2-ol; ethanedioic acid

Systemtic Name: 1-[bis(3-methylbutyl)amino]-3-(2,6-dimethylphenoxy)propan-2-ol; ethanedioic acid Openeye Name: 1-(diisopentylamino)-3-(2,6-dimethylphenoxy)propan-2-ol; oxalic acid CAS Name: 1-[bis(3-methylbutyl)amino]-3-(2,6-dimethylphenoxy)-2-propanol; oxalic acid IUPAC Name: 1-[bis(3-methylbutyl)amino]-3-(2,6-dimethylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-(diisoamylamino)-3-(2,6-dimethylphenoxy)propan-2-ol; oxalic acid Formula: C23H39NO6 MolecularWeight: 425.55886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(CN(CCC(C)C)CCC(C)C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(CN(CCC(C)C)CCC(C)C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H37NO2.C2H2O4/c1-16(2)10-12-22(13-11-17(3)4)14-20(23)15-24-21-18(5)8-7-9-19(21)6;3-1(4)2(5)6/h7-9,16-17,20,23H,10-15H2,1-6H3;(H,3,4)(H,5,6)