ethanedioic acid; 1-phenyl-4-[(phenylmethyl)amino]cyclohexane-1-carbonitrile

Systemtic Name: ethanedioic acid; 1-phenyl-4-[(phenylmethyl)amino]cyclohexane-1-carbonitrile Openeye Name: 4-(benzylamino)-1-phenyl-cyclohexanecarbonitrile; oxalic acid CAS Name: oxalic acid; 1-phenyl-4-[(phenylmethyl)amino]-1-cyclohexanecarbonitrile IUPAC Name: 4-(benzylamino)-1-phenylcyclohexane-1-carbonitrile; oxalic acid Traditional Name: 4-(benzylamino)-1-phenyl-cyclohexanecarbonitrile; oxalic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NCC2=CC=CC=C2)(C#N)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CCC1NCC2=CC=CC=C2)(C#N)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H22N2.C2H2O4/c21-16-20(18-9-5-2-6-10-18)13-11-19(12-14-20)22-15-17-7-3-1-4-8-17;3-1(4)2(5)6/h1-10,19,22H,11-15H2;(H,3,4)(H,5,6)