2,3-bis(oxidanyl)butanedioic acid; ethyl 4-(dimethylaminomethyl)-5-oxidanyl-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; ethyl 4-(dimethylaminomethyl)-5-oxidanyl-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: 2,3-dihydroxybutanedioic acid; ethyl 4-(dimethylaminomethyl)-5-hydroxy-2-phenyl-benzofuran-3-carboxylate CAS Name: 2,3-dihydroxybutanedioic acid; 4-(dimethylaminomethyl)-5-hydroxy-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: 2,3-dihydroxybutanedioic acid; ethyl 4-(dimethylaminomethyl)-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 4-(dimethylaminomethyl)-5-hydroxy-2-phenyl-benzofuran-3-carboxylic acid ethyl ester; tartaric acid Formula: C24H27NO10 MolecularWeight: 489.47188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)C3=CC=CC=C3.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)C3=CC=CC=C3.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C20H21NO4.C4H6O6/c1-4-24-20(23)18-17-14(12-21(2)3)15(22)10-11-16(17)25-19(18)13-8-6-5-7-9-13;5-1(3(7)8)2(6)4(9)10/h5-11,22H,4,12H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)