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

Systemtic Name: ethanedioic acid; 1-(4-ethylphenyl)-N-(pyridin-3-ylmethyl)methanamine Openeye Name: 1-(4-ethylphenyl)-N-(3-pyridylmethyl)methanamine; oxalic acid CAS Name: 1-(4-ethylphenyl)-N-(3-pyridinylmethyl)methanamine; oxalic acid IUPAC Name: 1-(4-ethylphenyl)-N-(pyridin-3-ylmethyl)methanamine; oxalic acid Traditional Name: (4-ethylbenzyl)-(3-pyridylmethyl)amine; oxalic acid Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNCC2=CN=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CNCC2=CN=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H18N2.C2H2O4/c1-2-13-5-7-14(8-6-13)10-17-12-15-4-3-9-16-11-15;3-1(4)2(5)6/h3-9,11,17H,2,10,12H2,1H3;(H,3,4)(H,5,6)