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

Systemtic Name: [4-[[(4-azanylcyclohexyl)-(phenylcarbonyl)amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[(4-aminocyclohexyl)-benzoyl-amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[(4-aminocyclohexyl)-benzoyl-amino]methyl]benzyl]phosphonic acid Formula: C21H27N2O4P MolecularWeight: 402.423841

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H27N2O4P/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/h1-9,19-20H,10-15,22H2,(H2,25,26,27)