ethanedioic acid; methyl 3-[3-(furan-2-ylmethylamino)-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethanedioic acid; methyl 3-[3-(furan-2-ylmethylamino)-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 3-[3-(2-furylmethylamino)-2-hydroxy-propoxy]benzoate; oxalic acid CAS Name: 3-[3-(2-furanylmethylamino)-2-hydroxypropoxy]benzoic acid methyl ester; oxalic acid IUPAC Name: methyl 3-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]benzoate; oxalic acid Traditional Name: 3-[3-(2-furfurylamino)-2-hydroxy-propoxy]benzoic acid methyl ester; oxalic acid Formula: C18H21NO9 MolecularWeight: 395.36064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)OCC(CNCC2=CC=CO2)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)OCC(CNCC2=CC=CO2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H19NO5.C2H2O4/c1-20-16(19)12-4-2-5-14(8-12)22-11-13(18)9-17-10-15-6-3-7-21-15;3-1(4)2(5)6/h2-8,13,17-18H,9-11H2,1H3;(H,3,4)(H,5,6)