ethanedioic acid; 2-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine

Systemtic Name: ethanedioic acid; 2-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine Openeye Name: oxalic acid; 2-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine CAS Name: oxalic acid; 2-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine IUPAC Name: oxalic acid; 2-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine Traditional Name: oxalic acid; phenethyl-(2,4,5-trimethoxybenzyl)amine Formula: C20H25NO7 MolecularWeight: 391.415

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNCCC2=CC=CC=C2)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=C(C=C1CNCCC2=CC=CC=C2)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23NO3.C2H2O4/c1-20-16-12-18(22-3)17(21-2)11-15(16)13-19-10-9-14-7-5-4-6-8-14;3-1(4)2(5)6/h4-8,11-12,19H,9-10,13H2,1-3H3;(H,3,4)(H,5,6)