1,3-bis(methylamino)propan-2-ol; 4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid

Systemtic Name: 1,3-bis(methylamino)propan-2-ol; 4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid Openeye Name: 1,3-bis(methylamino)propan-2-ol; 4-oxo-6,7-dihydro-5H-benzofuran-3-carboxylic acid CAS Name: 1,3-bis(methylamino)-2-propanol; 4-oxo-6,7-dihydro-5H-benzofuran-3-carboxylic acid IUPAC Name: 1,3-bis(methylamino)propan-2-ol; 4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid Traditional Name: 1,3-bis(methylamino)propan-2-ol; 4-keto-6,7-dihydro-5H-benzofuran-3-carboxylic acid Formula: C14H22N2O5 MolecularWeight: 298.33488

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(CNC)O.C1CC2=C(C(=O)C1)C(=CO2)C(=O)O

Isomeric SMILES

CNCC(CNC)O.C1CC2=C(C(=O)C1)C(=CO2)C(=O)O

InChI

InChI=1S/C9H8O4.C5H14N2O/c10-6-2-1-3-7-8(6)5(4-13-7)9(11)12;1-6-3-5(8)4-7-2/h4H,1-3H2,(H,11,12);5-8H,3-4H2,1-2H3