ethanedioic acid; 1-(2-phenylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol

Systemtic Name: ethanedioic acid; 1-(2-phenylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol Openeye Name: 1-(2-isopropylphenoxy)-3-(2-phenylpropylamino)propan-2-ol; oxalic acid CAS Name: oxalic acid; 1-(2-phenylpropylamino)-3-(2-propan-2-ylphenoxy)-2-propanol IUPAC Name: oxalic acid; 1-(2-phenylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol Traditional Name: 1-(2-isopropylphenoxy)-3-(2-phenylpropylamino)propan-2-ol; oxalic acid Formula: C23H31NO6 MolecularWeight: 417.49534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(CNCC(C)C2=CC=CC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(CNCC(C)C2=CC=CC=C2)O.C(=O)(C(=O)O)O

InChI

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