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

Systemtic Name: [4-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[(4-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]benzyl]phosphonic acid Formula: C21H33N2O4P MolecularWeight: 408.471481

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC2=CC=C(C=C2)CP(=O)(O)O)C3CCC(CC3)N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC=C(C=C2)CP(=O)(O)O)C3CCC(CC3)N

InChI

InChI=1S/C21H33N2O4P/c22-19-10-12-20(13-11-19)23(21(24)18-4-2-1-3-5-18)14-16-6-8-17(9-7-16)15-28(25,26)27/h6-9,18-20H,1-5,10-15,22H2,(H2,25,26,27)