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

Systemtic Name: ethanedioic acid; 1-[(4-methoxyphenyl)methylamino]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol Openeye Name: 1-[(4-methoxyphenyl)methylamino]-3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propan-2-ol; oxalic acid CAS Name: 1-[(4-methoxyphenyl)methylamino]-3-[4-(2-phenylpropan-2-yl)phenoxy]-2-propanol; oxalic acid IUPAC Name: 1-[(4-methoxyphenyl)methylamino]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol; oxalic acid Traditional Name: 1-(4-cumylphenoxy)-3-(p-anisylamino)propan-2-ol; oxalic acid Formula: C28H33NO7 MolecularWeight: 495.56412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC(CNCC3=CC=C(C=C3)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC(CNCC3=CC=C(C=C3)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H31NO3.C2H2O4/c1-26(2,21-7-5-4-6-8-21)22-11-15-25(16-12-22)30-19-23(28)18-27-17-20-9-13-24(29-3)14-10-20;3-1(4)2(5)6/h4-16,23,27-28H,17-19H2,1-3H3;(H,3,4)(H,5,6)