ethanedioic acid; 2-[2-methoxy-4-[[(phenylmethyl)amino]methyl]phenoxy]-1-phenyl-ethanol

Systemtic Name: ethanedioic acid; 2-[2-methoxy-4-[[(phenylmethyl)amino]methyl]phenoxy]-1-phenyl-ethanol Openeye Name: 2-[4-[(benzylamino)methyl]-2-methoxy-phenoxy]-1-phenyl-ethanol; oxalic acid CAS Name: 2-[2-methoxy-4-[[(phenylmethyl)amino]methyl]phenoxy]-1-phenylethanol; oxalic acid IUPAC Name: 2-[4-[(benzylamino)methyl]-2-methoxyphenoxy]-1-phenylethanol; oxalic acid Traditional Name: 2-[4-[(benzylamino)methyl]-2-methoxy-phenoxy]-1-phenyl-ethanol; oxalic acid Formula: C25H27NO7 MolecularWeight: 453.48438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCC2=CC=CC=C2)OCC(C3=CC=CC=C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNCC2=CC=CC=C2)OCC(C3=CC=CC=C3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H25NO3.C2H2O4/c1-26-23-14-19(16-24-15-18-8-4-2-5-9-18)12-13-22(23)27-17-21(25)20-10-6-3-7-11-20;3-1(4)2(5)6/h2-14,21,24-25H,15-17H2,1H3;(H,3,4)(H,5,6)