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

Systemtic Name: ethanedioic acid; 4-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-1-phenyl-cyclohexane-1-carbonitrile Openeye Name: 4-[[2-(morpholinomethyl)phenyl]methylamino]-1-phenyl-cyclohexanecarbonitrile; oxalic acid CAS Name: 4-[[2-(4-morpholinylmethyl)phenyl]methylamino]-1-phenyl-1-cyclohexanecarbonitrile; oxalic acid IUPAC Name: 4-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-1-phenylcyclohexane-1-carbonitrile; oxalic acid Traditional Name: 4-[[2-(morpholinomethyl)benzyl]amino]-1-phenyl-cyclohexanecarbonitrile; oxalic acid Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NCC2=CC=CC=C2CN3CCOCC3)(C#N)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CCC1NCC2=CC=CC=C2CN3CCOCC3)(C#N)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H31N3O.C2H2O4/c26-20-25(23-8-2-1-3-9-23)12-10-24(11-13-25)27-18-21-6-4-5-7-22(21)19-28-14-16-29-17-15-28;3-1(4)2(5)6/h1-9,24,27H,10-19H2;(H,3,4)(H,5,6)