ethanedioic acid; N-[(3-methylphenyl)methyl]-1-pyridin-3-yl-methanamine

Systemtic Name: ethanedioic acid; N-[(3-methylphenyl)methyl]-1-pyridin-3-yl-methanamine Openeye Name: N-(m-tolylmethyl)-1-(3-pyridyl)methanamine; oxalic acid CAS Name: N-[(3-methylphenyl)methyl]-1-(3-pyridinyl)methanamine; oxalic acid IUPAC Name: N-[(3-methylphenyl)methyl]-1-pyridin-3-ylmethanamine; oxalic acid Traditional Name: (3-methylbenzyl)-(3-pyridylmethyl)amine; oxalic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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