1-[3-(4-bromanyl-2-propan-2-yl-phenoxy)propylamino]propan-2-ol; ethanedioic acid

Systemtic Name: 1-[3-(4-bromanyl-2-propan-2-yl-phenoxy)propylamino]propan-2-ol; ethanedioic acid Openeye Name: 1-[3-(4-bromo-2-isopropyl-phenoxy)propylamino]propan-2-ol; oxalic acid CAS Name: 1-[3-(4-bromo-2-propan-2-ylphenoxy)propylamino]-2-propanol; oxalic acid IUPAC Name: 1-[3-(4-bromo-2-propan-2-ylphenoxy)propylamino]propan-2-ol; oxalic acid Traditional Name: 1-[3-(4-bromo-2-isopropyl-phenoxy)propylamino]propan-2-ol; oxalic acid Formula: C17H26BrNO6 MolecularWeight: 420.29544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)Br)OCCCNCC(C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)Br)OCCCNCC(C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H24BrNO2.C2H2O4/c1-11(2)14-9-13(16)5-6-15(14)19-8-4-7-17-10-12(3)18;3-1(4)2(5)6/h5-6,9,11-12,17-18H,4,7-8,10H2,1-3H3;(H,3,4)(H,5,6)