ethanedioic acid; 1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanamine

Systemtic Name: ethanedioic acid; 1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanamine Openeye Name: oxalic acid; 1-(p-tolyl)-N-(3-pyridylmethyl)methanamine CAS Name: 1-(4-methylphenyl)-N-(3-pyridinylmethyl)methanamine; oxalic acid IUPAC Name: 1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanamine; oxalic acid Traditional Name: (4-methylbenzyl)-(3-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=CN=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNCC2=CN=CC=C2.C(=O)(C(=O)O)O

InChI

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