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

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; ethyl 4-(morpholin-4-ylmethyl)-5-oxidanyl-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: 2,3-dihydroxybutanedioic acid; ethyl 5-hydroxy-4-(morpholinomethyl)-2-phenyl-benzofuran-3-carboxylate CAS Name: 2,3-dihydroxybutanedioic acid; 5-hydroxy-4-(4-morpholinylmethyl)-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: 2,3-dihydroxybutanedioic acid; ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-hydroxy-4-(morpholinomethyl)-2-phenyl-benzofuran-3-carboxylic acid ethyl ester; tartaric acid Formula: C48H52N2O16 MolecularWeight: 912.93028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3CCOCC3)C4=CC=CC=C4.CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3CCOCC3)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)CN3CCOCC3)C4=CC=CC=C4.CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3CCOCC3)C4=CC=CC=C4.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/2C22H23NO5.C4H6O6/c2*1-2-27-22(25)20-19-16(14-23-10-12-26-13-11-23)17(24)8-9-18(19)28-21(20)15-6-4-3-5-7-15;5-1(3(7)8)2(6)4(9)10/h2*3-9,24H,2,10-14H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)