1-[1-(4-bromophenyl)propylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol; ethanedioic acid

Systemtic Name: 1-[1-(4-bromophenyl)propylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol; ethanedioic acid Openeye Name: 1-[1-(4-bromophenyl)propylamino]-3-(2-isopropylphenoxy)propan-2-ol; oxalic acid CAS Name: 1-[1-(4-bromophenyl)propylamino]-3-(2-propan-2-ylphenoxy)-2-propanol; oxalic acid IUPAC Name: 1-[1-(4-bromophenyl)propylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-[1-(4-bromophenyl)propylamino]-3-(2-isopropylphenoxy)propan-2-ol; oxalic acid Formula: C23H30BrNO6 MolecularWeight: 496.3914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)NCC(COC2=CC=CC=C2C(C)C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C1=CC=C(C=C1)Br)NCC(COC2=CC=CC=C2C(C)C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28BrNO2.C2H2O4/c1-4-20(16-9-11-17(22)12-10-16)23-13-18(24)14-25-21-8-6-5-7-19(21)15(2)3;3-1(4)2(5)6/h5-12,15,18,20,23-24H,4,13-14H2,1-3H3;(H,3,4)(H,5,6)