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

Systemtic Name: 3,4-dimethyl-N-(pyridin-3-ylmethyl)aniline; ethanedioic acid Openeye Name: 3,4-dimethyl-N-(3-pyridylmethyl)aniline; oxalic acid CAS Name: 3,4-dimethyl-N-(3-pyridinylmethyl)aniline; oxalic acid IUPAC Name: 3,4-dimethyl-N-(pyridin-3-ylmethyl)aniline; oxalic acid Traditional Name: (3,4-dimethylphenyl)-(3-pyridylmethyl)amine; oxalic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC2=CN=CC=C2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NCC2=CN=CC=C2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H16N2.C2H2O4/c1-11-5-6-14(8-12(11)2)16-10-13-4-3-7-15-9-13;3-1(4)2(5)6/h3-9,16H,10H2,1-2H3;(H,3,4)(H,5,6)