ethanedioic acid; methyl 7-(2-azanylpropyl)-1-benzofuran-5-carboxylate

Systemtic Name: ethanedioic acid; methyl 7-(2-azanylpropyl)-1-benzofuran-5-carboxylate Openeye Name: methyl 7-(2-aminopropyl)benzofuran-5-carboxylate; oxalic acid CAS Name: 7-(2-aminopropyl)-5-benzofurancarboxylic acid methyl ester; oxalic acid IUPAC Name: methyl 7-(2-aminopropyl)-1-benzofuran-5-carboxylate; oxalic acid Traditional Name: 7-(2-aminopropyl)benzofuran-5-carboxylic acid methyl ester; oxalic acid Formula: C15H17NO7 MolecularWeight: 323.29798

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C2C(=CC(=C1)C(=O)OC)C=CO2)N.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CC1=C2C(=CC(=C1)C(=O)OC)C=CO2)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H15NO3.C2H2O4/c1-8(14)5-10-7-11(13(15)16-2)6-9-3-4-17-12(9)10;3-1(4)2(5)6/h3-4,6-8H,5,14H2,1-2H3;(H,3,4)(H,5,6)