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

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 3-bromanyl-5-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-6-oxidanyl-benzamide Openeye Name: 5-bromo-3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methoxy-benzamide; 2,3-dihydroxybutanedioic acid CAS Name: 5-bromo-3-ethyl-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-hydroxy-6-methoxybenzamide; 2,3-dihydroxybutanedioic acid IUPAC Name: 5-bromo-3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methoxybenzamide; 2,3-dihydroxybutanedioic acid Traditional Name: 5-bromo-3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methoxy-benzamide; tartaric acid Formula: C21H31BrN2O9 MolecularWeight: 535.38284

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25BrN2O3.C4H6O6/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)