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

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; ethyl 4-[(3-methylpiperidin-1-yl)methyl]-5-oxidanyl-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: 2,3-dihydroxybutanedioic acid; ethyl 5-hydroxy-4-[(3-methyl-1-piperidyl)methyl]-2-phenyl-benzofuran-3-carboxylate CAS Name: 2,3-dihydroxybutanedioic acid; 5-hydroxy-4-[(3-methyl-1-piperidinyl)methyl]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: 2,3-dihydroxybutanedioic acid; ethyl 5-hydroxy-4-[(3-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-hydroxy-4-[(3-methylpiperidino)methyl]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester; tartaric acid Formula: C52H60N2O14 MolecularWeight: 937.0378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3CCCC(C3)C)C4=CC=CC=C4.CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3CCCC(C3)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)CN3CCCC(C3)C)C4=CC=CC=C4.CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3CCCC(C3)C)C4=CC=CC=C4.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/2C24H27NO4.C4H6O6/c2*1-3-28-24(27)22-21-18(15-25-13-7-8-16(2)14-25)19(26)11-12-20(21)29-23(22)17-9-5-4-6-10-17;5-1(3(7)8)2(6)4(9)10/h2*4-6,9-12,16,26H,3,7-8,13-15H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)