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

Systemtic Name: 1-[4-[4-chloranyl-2-(phenylmethyl)phenoxy]butylamino]propan-2-ol; ethanedioic acid Openeye Name: 1-[4-(2-benzyl-4-chloro-phenoxy)butylamino]propan-2-ol; oxalic acid CAS Name: 1-[4-[4-chloro-2-(phenylmethyl)phenoxy]butylamino]-2-propanol; oxalic acid IUPAC Name: 1-[4-(2-benzyl-4-chlorophenoxy)butylamino]propan-2-ol; oxalic acid Traditional Name: 1-[4-(2-benzyl-4-chloro-phenoxy)butylamino]propan-2-ol; oxalic acid Formula: C22H28ClNO6 MolecularWeight: 437.91382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNCCCCOC1=C(C=C(C=C1)Cl)CC2=CC=CC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CNCCCCOC1=C(C=C(C=C1)Cl)CC2=CC=CC=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H26ClNO2.C2H2O4/c1-16(23)15-22-11-5-6-12-24-20-10-9-19(21)14-18(20)13-17-7-3-2-4-8-17;3-1(4)2(5)6/h2-4,7-10,14,16,22-23H,5-6,11-13,15H2,1H3;(H,3,4)(H,5,6)