ethanedioic acid; 4-ethoxy-N-(pyridin-3-ylmethyl)aniline

Systemtic Name: ethanedioic acid; 4-ethoxy-N-(pyridin-3-ylmethyl)aniline Openeye Name: 4-ethoxy-N-(3-pyridylmethyl)aniline; oxalic acid CAS Name: 4-ethoxy-N-(3-pyridinylmethyl)aniline; oxalic acid IUPAC Name: 4-ethoxy-N-(pyridin-3-ylmethyl)aniline; oxalic acid Traditional Name: oxalic acid; p-phenetyl(3-pyridylmethyl)amine Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NCC2=CN=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)NCC2=CN=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H16N2O.C2H2O4/c1-2-17-14-7-5-13(6-8-14)16-11-12-4-3-9-15-10-12;3-1(4)2(5)6/h3-10,16H,2,11H2,1H3;(H,3,4)(H,5,6)