ethanedioic acid; 4-(4-methoxyphenoxy)-N-prop-2-enyl-but-2-yn-1-amine

Systemtic Name: ethanedioic acid; 4-(4-methoxyphenoxy)-N-prop-2-enyl-but-2-yn-1-amine Openeye Name: N-allyl-4-(4-methoxyphenoxy)but-2-yn-1-amine; oxalic acid CAS Name: 4-(4-methoxyphenoxy)-N-prop-2-enyl-2-butyn-1-amine; oxalic acid IUPAC Name: 4-(4-methoxyphenoxy)-N-prop-2-enylbut-2-yn-1-amine; oxalic acid Traditional Name: allyl-[4-(4-methoxyphenoxy)but-2-ynyl]amine; oxalic acid Formula: C16H19NO6 MolecularWeight: 321.32516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC#CCNCC=C.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)OCC#CCNCC=C.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H17NO2.C2H2O4/c1-3-10-15-11-4-5-12-17-14-8-6-13(16-2)7-9-14;3-1(4)2(5)6/h3,6-9,15H,1,10-12H2,2H3;(H,3,4)(H,5,6)