ethanedioic acid; 2-[3-methoxy-4,5-bis(phenylmethoxy)phenyl]ethanamine

Systemtic Name: ethanedioic acid; 2-[3-methoxy-4,5-bis(phenylmethoxy)phenyl]ethanamine Openeye Name: 2-(3,4-dibenzyloxy-5-methoxy-phenyl)ethanamine; oxalic acid CAS Name: 2-[3-methoxy-4,5-bis(phenylmethoxy)phenyl]ethanamine; oxalic acid IUPAC Name: 2-[3-methoxy-4,5-bis(phenylmethoxy)phenyl]ethanamine; oxalic acid Traditional Name: 2-(3,4-dibenzoxy-5-methoxy-phenyl)ethylamine; oxalic acid Formula: C25H27NO7 MolecularWeight: 453.48438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CCN)OCC2=CC=CC=C2)OCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CCN)OCC2=CC=CC=C2)OCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

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