ethanedioic acid; 1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine

Systemtic Name: ethanedioic acid; 1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine Openeye Name: oxalic acid; 1-(p-tolyl)-N-(2-pyridylmethyl)methanamine CAS Name: 1-(4-methylphenyl)-N-(2-pyridinylmethyl)methanamine; oxalic acid IUPAC Name: 1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine; oxalic acid Traditional Name: (4-methylbenzyl)-(2-pyridylmethyl)amine; oxalic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNCC2=CC=CC=N2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNCC2=CC=CC=N2.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H16N2.C2H2O4/c1-12-5-7-13(8-6-12)10-15-11-14-4-2-3-9-16-14;3-1(4)2(5)6/h2-9,15H,10-11H2,1H3;(H,3,4)(H,5,6)