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

Systemtic Name: 4-bromanyl-2-[1-(dimethylamino)pentan-3-yloxy]benzenecarbonitrile; ethanedioic acid Openeye Name: 4-bromo-2-[3-(dimethylamino)-1-ethyl-propoxy]benzonitrile; oxalic acid CAS Name: 4-bromo-2-[1-(dimethylamino)pentan-3-yloxy]benzonitrile; oxalic acid IUPAC Name: 4-bromo-2-[1-(dimethylamino)pentan-3-yloxy]benzonitrile; oxalic acid Traditional Name: 4-bromo-2-[3-(dimethylamino)-1-ethyl-propoxy]benzonitrile; oxalic acid Formula: C16H21BrN2O5 MolecularWeight: 401.25234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN2O.C2H2O4/c1-4-13(7-8-17(2)3)18-14-9-12(15)6-5-11(14)10-16;3-1(4)2(5)6/h5-6,9,13H,4,7-8H2,1-3H3;(H,3,4)(H,5,6)