ethanedioic acid; 2-(5-methyl-2-propan-2-yl-phenoxy)-N-(pyridin-3-ylmethyl)ethanamine

Systemtic Name: ethanedioic acid; 2-(5-methyl-2-propan-2-yl-phenoxy)-N-(pyridin-3-ylmethyl)ethanamine Openeye Name: 2-(2-isopropyl-5-methyl-phenoxy)-N-(3-pyridylmethyl)ethanamine; oxalic acid CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)-N-(3-pyridinylmethyl)ethanamine; oxalic acid IUPAC Name: 2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)ethanamine; oxalic acid Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)ethyl-(3-pyridylmethyl)amine; oxalic acid Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCCNCC2=CN=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCCNCC2=CN=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H24N2O.C2H2O4/c1-14(2)17-7-6-15(3)11-18(17)21-10-9-20-13-16-5-4-8-19-12-16;3-1(4)2(5)6/h4-8,11-12,14,20H,9-10,13H2,1-3H3;(H,3,4)(H,5,6)