2-(3,4-dimethoxyphenyl)-N-[(3-phenoxyphenyl)methyl]ethanamine; ethanedioic acid

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-[(3-phenoxyphenyl)methyl]ethanamine; ethanedioic acid Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[(3-phenoxyphenyl)methyl]ethanamine; oxalic acid CAS Name: 2-(3,4-dimethoxyphenyl)-N-[(3-phenoxyphenyl)methyl]ethanamine; oxalic acid IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[(3-phenoxyphenyl)methyl]ethanamine; oxalic acid Traditional Name: homoveratryl-(3-phenoxybenzyl)amine; oxalic acid Formula: C25H27NO7 MolecularWeight: 453.48438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC2=CC(=CC=C2)OC3=CC=CC=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC2=CC(=CC=C2)OC3=CC=CC=C3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H25NO3.C2H2O4/c1-25-22-12-11-18(16-23(22)26-2)13-14-24-17-19-7-6-10-21(15-19)27-20-8-4-3-5-9-20;3-1(4)2(5)6/h3-12,15-16,24H,13-14,17H2,1-2H3;(H,3,4)(H,5,6)