ethanedioic acid; 4-[(2-fluorophenyl)methylamino]-1-phenyl-cyclohexane-1-carbonitrile

Systemtic Name: ethanedioic acid; 4-[(2-fluorophenyl)methylamino]-1-phenyl-cyclohexane-1-carbonitrile Openeye Name: 4-[(2-fluorophenyl)methylamino]-1-phenyl-cyclohexanecarbonitrile; oxalic acid CAS Name: 4-[(2-fluorophenyl)methylamino]-1-phenyl-1-cyclohexanecarbonitrile; oxalic acid IUPAC Name: 4-[(2-fluorophenyl)methylamino]-1-phenylcyclohexane-1-carbonitrile; oxalic acid Traditional Name: 4-[(2-fluorobenzyl)amino]-1-phenyl-cyclohexanecarbonitrile; oxalic acid Formula: C22H23FN2O4 MolecularWeight: 398.427423

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NCC2=CC=CC=C2F)(C#N)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CCC1NCC2=CC=CC=C2F)(C#N)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H21FN2.C2H2O4/c21-19-9-5-4-6-16(19)14-23-18-10-12-20(15-22,13-11-18)17-7-2-1-3-8-17;3-1(4)2(5)6/h1-9,18,23H,10-14H2;(H,3,4)(H,5,6)