4-chloranyl-2-[1-(furan-3-yl)-4-(methylamino)butoxy]benzenecarbonitrile; ethanedioic acid

Systemtic Name: 4-chloranyl-2-[1-(furan-3-yl)-4-(methylamino)butoxy]benzenecarbonitrile; ethanedioic acid Openeye Name: 4-chloro-2-[1-(3-furyl)-4-(methylamino)butoxy]benzonitrile; oxalic acid CAS Name: 4-chloro-2-[1-(3-furanyl)-4-(methylamino)butoxy]benzonitrile; oxalic acid IUPAC Name: 4-chloro-2-[1-(furan-3-yl)-4-(methylamino)butoxy]benzonitrile; oxalic acid Traditional Name: 4-chloro-2-[1-(3-furyl)-4-(methylamino)butoxy]benzonitrile; oxalic acid Formula: C18H19ClN2O6 MolecularWeight: 394.80626

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCC(C1=COC=C1)OC2=C(C=CC(=C2)Cl)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CNCCCC(C1=COC=C1)OC2=C(C=CC(=C2)Cl)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H17ClN2O2.C2H2O4/c1-19-7-2-3-15(13-6-8-20-11-13)21-16-9-14(17)5-4-12(16)10-18;3-1(4)2(5)6/h4-6,8-9,11,15,19H,2-3,7H2,1H3;(H,3,4)(H,5,6)