1-[4-[2-chloranyl-4-(2-methylbutan-2-yl)phenoxy]butylamino]propan-2-ol; ethanedioic acid

Systemtic Name: 1-[4-[2-chloranyl-4-(2-methylbutan-2-yl)phenoxy]butylamino]propan-2-ol; ethanedioic acid Openeye Name: 1-[4-[2-chloro-4-(1,1-dimethylpropyl)phenoxy]butylamino]propan-2-ol; oxalic acid CAS Name: 1-[4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]butylamino]-2-propanol; oxalic acid IUPAC Name: 1-[4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]butylamino]propan-2-ol; oxalic acid Traditional Name: 1-[4-(4-tert-amyl-2-chloro-phenoxy)butylamino]propan-2-ol; oxalic acid Formula: C20H32ClNO6 MolecularWeight: 417.92418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNCC(C)O)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNCC(C)O)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H30ClNO2.C2H2O4/c1-5-18(3,4)15-8-9-17(16(19)12-15)22-11-7-6-10-20-13-14(2)21;3-1(4)2(5)6/h8-9,12,14,20-21H,5-7,10-11,13H2,1-4H3;(H,3,4)(H,5,6)