ethanedioic acid; 4-(phenethylamino)-1-phenyl-cyclohexane-1-carbonitrile

Systemtic Name: ethanedioic acid; 4-(phenethylamino)-1-phenyl-cyclohexane-1-carbonitrile Openeye Name: oxalic acid; 4-(phenethylamino)-1-phenyl-cyclohexanecarbonitrile CAS Name: oxalic acid; 4-(phenethylamino)-1-phenyl-1-cyclohexanecarbonitrile IUPAC Name: oxalic acid; 4-(phenethylamino)-1-phenylcyclohexane-1-carbonitrile Traditional Name: oxalic acid; 4-(phenethylamino)-1-phenyl-cyclohexanecarbonitrile Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NCCC2=CC=CC=C2)(C#N)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CCC1NCCC2=CC=CC=C2)(C#N)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H24N2.C2H2O4/c22-17-21(19-9-5-2-6-10-19)14-11-20(12-15-21)23-16-13-18-7-3-1-4-8-18;3-1(4)2(5)6/h1-10,20,23H,11-16H2;(H,3,4)(H,5,6)