ethanedioic acid; methyl 2-[4-(furan-2-ylmethylamino)butoxy]benzoate

Systemtic Name: ethanedioic acid; methyl 2-[4-(furan-2-ylmethylamino)butoxy]benzoate Openeye Name: methyl 2-[4-(2-furylmethylamino)butoxy]benzoate; oxalic acid CAS Name: 2-[4-(2-furanylmethylamino)butoxy]benzoic acid methyl ester; oxalic acid IUPAC Name: methyl 2-[4-(furan-2-ylmethylamino)butoxy]benzoate; oxalic acid Traditional Name: 2-[4-(2-furfurylamino)butoxy]benzoic acid methyl ester; oxalic acid Formula: C19H23NO8 MolecularWeight: 393.38782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1OCCCCNCC2=CC=CO2.C(=O)(C(=O)O)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1OCCCCNCC2=CC=CO2.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H21NO4.C2H2O4/c1-20-17(19)15-8-2-3-9-16(15)22-11-5-4-10-18-13-14-7-6-12-21-14;3-1(4)2(5)6/h2-3,6-9,12,18H,4-5,10-11,13H2,1H3;(H,3,4)(H,5,6)