ethanedioic acid; 1-[3-methoxy-4-[2-oxidanyl-3-(prop-2-enylamino)propoxy]phenyl]ethanone

Systemtic Name: ethanedioic acid; 1-[3-methoxy-4-[2-oxidanyl-3-(prop-2-enylamino)propoxy]phenyl]ethanone Openeye Name: 1-[4-[3-(allylamino)-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone; oxalic acid CAS Name: 1-[4-[2-hydroxy-3-(prop-2-enylamino)propoxy]-3-methoxyphenyl]ethanone; oxalic acid IUPAC Name: 1-[4-[2-hydroxy-3-(prop-2-enylamino)propoxy]-3-methoxyphenyl]ethanone; oxalic acid Traditional Name: 1-[4-[3-(allylamino)-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone; oxalic acid Formula: C17H23NO8 MolecularWeight: 369.36642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(CNCC=C)O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCC(CNCC=C)O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H21NO4.C2H2O4/c1-4-7-16-9-13(18)10-20-14-6-5-12(11(2)17)8-15(14)19-3;3-1(4)2(5)6/h4-6,8,13,16,18H,1,7,9-10H2,2-3H3;(H,3,4)(H,5,6)