ethanedioic acid; 1-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine

Systemtic Name: ethanedioic acid; 1-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine Openeye Name: 1-(4-isopropylphenyl)-N-(3-pyridylmethyl)methanamine; oxalic acid CAS Name: oxalic acid; 1-(4-propan-2-ylphenyl)-N-(3-pyridinylmethyl)methanamine IUPAC Name: oxalic acid; 1-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine Traditional Name: (4-isopropylbenzyl)-(3-pyridylmethyl)amine; oxalic acid Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2.C2H2O4/c1-13(2)16-7-5-14(6-8-16)10-18-12-15-4-3-9-17-11-15;3-1(4)2(5)6/h3-9,11,13,18H,10,12H2,1-2H3;(H,3,4)(H,5,6)