ethanedioic acid; 1-(2-methylphenoxy)-3-[(2-oxidanyl-2-phenyl-ethyl)amino]propan-2-ol

Systemtic Name: ethanedioic acid; 1-(2-methylphenoxy)-3-[(2-oxidanyl-2-phenyl-ethyl)amino]propan-2-ol Openeye Name: 1-[(2-hydroxy-2-phenyl-ethyl)amino]-3-(2-methylphenoxy)propan-2-ol; oxalic acid CAS Name: 1-[(2-hydroxy-2-phenylethyl)amino]-3-(2-methylphenoxy)-2-propanol; oxalic acid IUPAC Name: 1-[(2-hydroxy-2-phenylethyl)amino]-3-(2-methylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-[(2-hydroxy-2-phenyl-ethyl)amino]-3-(2-methylphenoxy)propan-2-ol; oxalic acid Formula: C20H25NO7 MolecularWeight: 391.415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CNCC(C2=CC=CC=C2)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CNCC(C2=CC=CC=C2)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23NO3.C2H2O4/c1-14-7-5-6-10-18(14)22-13-16(20)11-19-12-17(21)15-8-3-2-4-9-15;3-1(4)2(5)6/h2-10,16-17,19-21H,11-13H2,1H3;(H,3,4)(H,5,6)