ethanedioic acid; 1-(4-ethoxyphenoxy)-3-(prop-2-ynylamino)propan-2-ol

Systemtic Name: ethanedioic acid; 1-(4-ethoxyphenoxy)-3-(prop-2-ynylamino)propan-2-ol Openeye Name: 1-(4-ethoxyphenoxy)-3-(prop-2-ynylamino)propan-2-ol; oxalic acid CAS Name: 1-(4-ethoxyphenoxy)-3-(prop-2-ynylamino)-2-propanol; oxalic acid IUPAC Name: 1-(4-ethoxyphenoxy)-3-(prop-2-ynylamino)propan-2-ol; oxalic acid Traditional Name: 1-(4-ethoxyphenoxy)-3-(propargylamino)propan-2-ol; oxalic acid Formula: C16H21NO7 MolecularWeight: 339.34044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC(CNCC#C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC(CNCC#C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H19NO3.C2H2O4/c1-3-9-15-10-12(16)11-18-14-7-5-13(6-8-14)17-4-2;3-1(4)2(5)6/h1,5-8,12,15-16H,4,9-11H2,2H3;(H,3,4)(H,5,6)