2,3-bis(oxidanyl)butanedioic acid; 3-bromanyl-5-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-6-oxidanyl-benzamide; hydrate

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 3-bromanyl-5-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-6-oxidanyl-benzamide; hydrate Openeye Name: 5-bromo-3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methoxy-benzamide; 2,3-dihydroxybutanedioic acid; hydrate CAS Name: 5-bromo-3-ethyl-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-hydroxy-6-methoxybenzamide; 2,3-dihydroxybutanedioic acid; hydrate IUPAC Name: 5-bromo-3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methoxybenzamide; 2,3-dihydroxybutanedioic acid; hydrate Traditional Name: 5-bromo-3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methoxy-benzamide; tartaric acid; hydrate Formula: C21H33BrN2O10 MolecularWeight: 553.39812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1O)C(=O)NCC2CCCN2CC)OC)Br.C(C(C(=O)O)O)(C(=O)O)O.O

Isomeric SMILES

CCC1=CC(=C(C(=C1O)C(=O)NCC2CCCN2CC)OC)Br.C(C(C(=O)O)O)(C(=O)O)O.O

InChI

InChI=1S/C17H25BrN2O3.C4H6O6.H2O/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2;5-1(3(7)8)2(6)4(9)10;/h9,12,21H,4-8,10H2,1-3H3,(H,19,22);1-2,5-6H,(H,7,8)(H,9,10);1H2