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

Systemtic Name: ethanedioic acid; 2-[2-methoxy-4-[(phenethylamino)methyl]phenoxy]-1-phenyl-ethanol Openeye Name: 2-[2-methoxy-4-[(phenethylamino)methyl]phenoxy]-1-phenyl-ethanol; oxalic acid CAS Name: 2-[2-methoxy-4-[(phenethylamino)methyl]phenoxy]-1-phenylethanol; oxalic acid IUPAC Name: 2-[2-methoxy-4-[(phenethylamino)methyl]phenoxy]-1-phenylethanol; oxalic acid Traditional Name: 2-[2-methoxy-4-[(phenethylamino)methyl]phenoxy]-1-phenyl-ethanol; oxalic acid Formula: C26H29NO7 MolecularWeight: 467.51096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCCC2=CC=CC=C2)OCC(C3=CC=CC=C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNCCC2=CC=CC=C2)OCC(C3=CC=CC=C3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H27NO3.C2H2O4/c1-27-24-16-20(17-25-15-14-19-8-4-2-5-9-19)12-13-23(24)28-18-22(26)21-10-6-3-7-11-21;3-1(4)2(5)6/h2-13,16,22,25-26H,14-15,17-18H2,1H3;(H,3,4)(H,5,6)