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

Systemtic Name: ethanedioic acid; 1-[3-[4-(2-phenylpropan-2-yl)phenoxy]propylamino]propan-2-ol Openeye Name: 1-[3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propylamino]propan-2-ol; oxalic acid CAS Name: oxalic acid; 1-[3-[4-(2-phenylpropan-2-yl)phenoxy]propylamino]-2-propanol IUPAC Name: oxalic acid; 1-[3-[4-(2-phenylpropan-2-yl)phenoxy]propylamino]propan-2-ol Traditional Name: 1-[3-(4-cumylphenoxy)propylamino]propan-2-ol; oxalic acid Formula: C23H31NO6 MolecularWeight: 417.49534

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCCCOC1=CC=C(C=C1)C(C)(C)C2=CC=CC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CNCCCOC1=CC=C(C=C1)C(C)(C)C2=CC=CC=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H29NO2.C2H2O4/c1-17(23)16-22-14-7-15-24-20-12-10-19(11-13-20)21(2,3)18-8-5-4-6-9-18;3-1(4)2(5)6/h4-6,8-13,17,22-23H,7,14-16H2,1-3H3;(H,3,4)(H,5,6)