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

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; ethyl 5-oxidanyl-2-phenyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate Openeye Name: 2,3-dihydroxybutanedioic acid; ethyl 5-hydroxy-2-phenyl-4-(1-piperidylmethyl)benzofuran-3-carboxylate CAS Name: 2,3-dihydroxybutanedioic acid; 5-hydroxy-2-phenyl-4-(1-piperidinylmethyl)-3-benzofurancarboxylic acid ethyl ester IUPAC Name: 2,3-dihydroxybutanedioic acid; ethyl 5-hydroxy-2-phenyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-phenyl-4-(piperidinomethyl)benzofuran-3-carboxylic acid ethyl ester; tartaric acid Formula: C50H56N2O14 MolecularWeight: 908.98464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3CCCCC3)C4=CC=CC=C4.CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3CCCCC3)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)CN3CCCCC3)C4=CC=CC=C4.CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3CCCCC3)C4=CC=CC=C4.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/2C23H25NO4.C4H6O6/c2*1-2-27-23(26)21-20-17(15-24-13-7-4-8-14-24)18(25)11-12-19(20)28-22(21)16-9-5-3-6-10-16;5-1(3(7)8)2(6)4(9)10/h2*3,5-6,9-12,25H,2,4,7-8,13-15H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)