ethanedioic acid; N-(oxolan-2-ylmethyl)-2-(2,3,5-trimethylphenoxy)ethanamine

Systemtic Name: ethanedioic acid; N-(oxolan-2-ylmethyl)-2-(2,3,5-trimethylphenoxy)ethanamine Openeye Name: oxalic acid; N-(tetrahydrofuran-2-ylmethyl)-2-(2,3,5-trimethylphenoxy)ethanamine CAS Name: oxalic acid; N-(2-oxolanylmethyl)-2-(2,3,5-trimethylphenoxy)ethanamine IUPAC Name: oxalic acid; N-(oxolan-2-ylmethyl)-2-(2,3,5-trimethylphenoxy)ethanamine Traditional Name: oxalic acid; tetrahydrofurfuryl-[2-(2,3,5-trimethylphenoxy)ethyl]amine Formula: C18H27NO6 MolecularWeight: 353.41008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCNCC2CCCO2)C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCNCC2CCCO2)C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25NO2.C2H2O4/c1-12-9-13(2)14(3)16(10-12)19-8-6-17-11-15-5-4-7-18-15;3-1(4)2(5)6/h9-10,15,17H,4-8,11H2,1-3H3;(H,3,4)(H,5,6)