[4-[[3-azanylpropyl-(3-fluorophenyl)carbonyl-amino]methyl]phenyl]methylphosphonic acid

Systemtic Name: [4-[[3-azanylpropyl-(3-fluorophenyl)carbonyl-amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[3-aminopropyl-(3-fluorobenzoyl)amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[3-aminopropyl-[(3-fluorophenyl)-oxomethyl]amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[3-aminopropyl-(3-fluorobenzoyl)amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[3-aminopropyl-(3-fluorobenzoyl)amino]methyl]benzyl]phosphonic acid Formula: C18H22FN2O4P MolecularWeight: 380.350444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C(=O)N(CCCN)CC2=CC=C(C=C2)CP(=O)(O)O

Isomeric SMILES

C1=CC(=CC(=C1)F)C(=O)N(CCCN)CC2=CC=C(C=C2)CP(=O)(O)O

InChI

InChI=1S/C18H22FN2O4P/c19-17-4-1-3-16(11-17)18(22)21(10-2-9-20)12-14-5-7-15(8-6-14)13-26(23,24)25/h1,3-8,11H,2,9-10,12-13,20H2,(H2,23,24,25)