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

Systemtic Name: [4-[[(4-azanylcyclohexyl)-(phenylmethyl)amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[(4-aminocyclohexyl)-benzyl-amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[(4-aminocyclohexyl)-(phenylmethyl)amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[(4-aminocyclohexyl)-benzylamino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[(4-aminocyclohexyl)-benzyl-amino]methyl]benzyl]phosphonic acid Formula: C21H29N2O3P MolecularWeight: 388.440321

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)CP(=O)(O)O

Isomeric SMILES

C1CC(CCC1N)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)CP(=O)(O)O

InChI

InChI=1S/C21H29N2O3P/c22-20-10-12-21(13-11-20)23(14-17-4-2-1-3-5-17)15-18-6-8-19(9-7-18)16-27(24,25)26/h1-9,20-21H,10-16,22H2,(H2,24,25,26)