1-(3-bromanylphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol; ethanedioic acid

Systemtic Name: 1-(3-bromanylphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol; ethanedioic acid Openeye Name: 1-(3-bromophenoxy)-3-(1,1,3,3-tetramethylbutylamino)propan-2-ol; oxalic acid CAS Name: 1-(3-bromophenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)-2-propanol; oxalic acid IUPAC Name: 1-(3-bromophenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol; oxalic acid Traditional Name: 1-(3-bromophenoxy)-3-(1,1,3,3-tetramethylbutylamino)propan-2-ol; oxalic acid Formula: C19H30BrNO6 MolecularWeight: 448.3486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NCC(COC1=CC(=CC=C1)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)CC(C)(C)NCC(COC1=CC(=CC=C1)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H28BrNO2.C2H2O4/c1-16(2,3)12-17(4,5)19-10-14(20)11-21-15-8-6-7-13(18)9-15;3-1(4)2(5)6/h6-9,14,19-20H,10-12H2,1-5H3;(H,3,4)(H,5,6)