2-(5-chloranyl-2-methoxy-phenyl)-5-(dimethylamino)-2-phenyl-pentanenitrile; ethanedioic acid

Systemtic Name: 2-(5-chloranyl-2-methoxy-phenyl)-5-(dimethylamino)-2-phenyl-pentanenitrile; ethanedioic acid Openeye Name: 2-(5-chloro-2-methoxy-phenyl)-5-(dimethylamino)-2-phenyl-pentanenitrile; oxalic acid CAS Name: 2-(5-chloro-2-methoxyphenyl)-5-(dimethylamino)-2-phenylpentanenitrile; oxalic acid IUPAC Name: 2-(5-chloro-2-methoxyphenyl)-5-(dimethylamino)-2-phenylpentanenitrile; oxalic acid Traditional Name: 2-(5-chloro-2-methoxy-phenyl)-5-(dimethylamino)-2-phenyl-valeronitrile; oxalic acid Formula: C22H25ClN2O5 MolecularWeight: 432.8973

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC(C#N)(C1=CC=CC=C1)C2=C(C=CC(=C2)Cl)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCCC(C#N)(C1=CC=CC=C1)C2=C(C=CC(=C2)Cl)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23ClN2O.C2H2O4/c1-23(2)13-7-12-20(15-22,16-8-5-4-6-9-16)18-14-17(21)10-11-19(18)24-3;3-1(4)2(5)6/h4-6,8-11,14H,7,12-13H2,1-3H3;(H,3,4)(H,5,6)