4-bromanyl-2-[1-(2-methoxyethylamino)pentan-3-yloxy]benzenecarbonitrile; ethanedioic acid

Systemtic Name: 4-bromanyl-2-[1-(2-methoxyethylamino)pentan-3-yloxy]benzenecarbonitrile; ethanedioic acid Openeye Name: 4-bromo-2-[1-ethyl-3-(2-methoxyethylamino)propoxy]benzonitrile; oxalic acid CAS Name: 4-bromo-2-[1-(2-methoxyethylamino)pentan-3-yloxy]benzonitrile; oxalic acid IUPAC Name: 4-bromo-2-[1-(2-methoxyethylamino)pentan-3-yloxy]benzonitrile; oxalic acid Traditional Name: 4-bromo-2-[1-ethyl-3-(2-methoxyethylamino)propoxy]benzonitrile; oxalic acid Formula: C17H23BrN2O6 MolecularWeight: 431.27832

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCNCCOC)OC1=C(C=CC(=C1)Br)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CCNCCOC)OC1=C(C=CC(=C1)Br)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H21BrN2O2.C2H2O4/c1-3-14(6-7-18-8-9-19-2)20-15-10-13(16)5-4-12(15)11-17;3-1(4)2(5)6/h4-5,10,14,18H,3,6-9H2,1-2H3;(H,3,4)(H,5,6)