[4-[[(4-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]methylphosphonic acid

Systemtic Name: [4-[[(4-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[(4-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]benzyl]phosphonic acid Formula: C22H26N3O4P MolecularWeight: 427.433301

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=CC=C(C=C2)CP(=O)(O)O)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CC(CCC1N)N(CC2=CC=C(C=C2)CP(=O)(O)O)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H26N3O4P/c23-13-16-5-7-19(8-6-16)22(26)25(21-11-9-20(24)10-12-21)14-17-1-3-18(4-2-17)15-30(27,28)29/h1-8,20-21H,9-12,14-15,24H2,(H2,27,28,29)