ethanedioic acid; 1-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine

Systemtic Name: ethanedioic acid; 1-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine Openeye Name: oxalic acid; 1-(3-pyridyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine CAS Name: oxalic acid; 1-(3-pyridinyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine IUPAC Name: oxalic acid; 1-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine Traditional Name: oxalic acid; 3-pyridylmethyl-(3,4,5-trimethoxybenzyl)amine Formula: C18H22N2O7 MolecularWeight: 378.37648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNCC2=CN=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNCC2=CN=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H20N2O3.C2H2O4/c1-19-14-7-13(8-15(20-2)16(14)21-3)11-18-10-12-5-4-6-17-9-12;3-1(4)2(5)6/h4-9,18H,10-11H2,1-3H3;(H,3,4)(H,5,6)