2,3-bis(oxidanyl)butanedioic acid; ethyl 4-[(4-methylpiperidin-1-yl)methyl]-5-oxidanyl-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; ethyl 4-[(4-methylpiperidin-1-yl)methyl]-5-oxidanyl-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: 2,3-dihydroxybutanedioic acid; ethyl 5-hydroxy-4-[(4-methyl-1-piperidyl)methyl]-2-phenyl-benzofuran-3-carboxylate CAS Name: 2,3-dihydroxybutanedioic acid; 5-hydroxy-4-[(4-methyl-1-piperidinyl)methyl]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: 2,3-dihydroxybutanedioic acid; ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-hydroxy-4-[(4-methylpiperidino)methyl]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester; tartaric acid Formula: C28H33NO10 MolecularWeight: 543.56232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3CCC(CC3)C)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)CN3CCC(CC3)C)C4=CC=CC=C4.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C24H27NO4.C4H6O6/c1-3-28-24(27)22-21-18(15-25-13-11-16(2)12-14-25)19(26)9-10-20(21)29-23(22)17-7-5-4-6-8-17;5-1(3(7)8)2(6)4(9)10/h4-10,16,26H,3,11-15H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)