ethanedioic acid; 1-[4-(2-phenylpropan-2-yl)phenoxy]-3-(thiophen-2-ylmethylamino)propan-2-ol

Systemtic Name: ethanedioic acid; 1-[4-(2-phenylpropan-2-yl)phenoxy]-3-(thiophen-2-ylmethylamino)propan-2-ol Openeye Name: 1-[4-(1-methyl-1-phenyl-ethyl)phenoxy]-3-(2-thienylmethylamino)propan-2-ol; oxalic acid CAS Name: oxalic acid; 1-[4-(2-phenylpropan-2-yl)phenoxy]-3-(thiophen-2-ylmethylamino)-2-propanol IUPAC Name: oxalic acid; 1-[4-(2-phenylpropan-2-yl)phenoxy]-3-(thiophen-2-ylmethylamino)propan-2-ol Traditional Name: 1-(4-cumylphenoxy)-3-(2-thenylamino)propan-2-ol; oxalic acid Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC(CNCC3=CC=CS3)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC(CNCC3=CC=CS3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H27NO2S.C2H2O4/c1-23(2,18-7-4-3-5-8-18)19-10-12-21(13-11-19)26-17-20(25)15-24-16-22-9-6-14-27-22;3-1(4)2(5)6/h3-14,20,24-25H,15-17H2,1-2H3;(H,3,4)(H,5,6)