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

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; ethyl 5-oxidanyl-2-phenyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate Openeye Name: 2,3-dihydroxybutanedioic acid; ethyl 5-hydroxy-2-phenyl-4-(pyrrolidin-1-ylmethyl)benzofuran-3-carboxylate CAS Name: 2,3-dihydroxybutanedioic acid; 5-hydroxy-2-phenyl-4-(1-pyrrolidinylmethyl)-3-benzofurancarboxylic acid ethyl ester IUPAC Name: 2,3-dihydroxybutanedioic acid; ethyl 5-hydroxy-2-phenyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-phenyl-4-(pyrrolidinomethyl)benzofuran-3-carboxylic acid ethyl ester; tartaric acid Formula: C26H29NO10 MolecularWeight: 515.50916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3CCCC3)C4=CC=CC=C4.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3CCCC3)C4=CC=CC=C4.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C22H23NO4.C4H6O6/c1-2-26-22(25)20-19-16(14-23-12-6-7-13-23)17(24)10-11-18(19)27-21(20)15-8-4-3-5-9-15;5-1(3(7)8)2(6)4(9)10/h3-5,8-11,24H,2,6-7,12-14H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)