[4-[[2-azanylethyl-(3-fluorophenyl)carbonyl-amino]methyl]phenyl]methylphosphonic acid

Systemtic Name: [4-[[2-azanylethyl-(3-fluorophenyl)carbonyl-amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[2-aminoethyl-(3-fluorobenzoyl)amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[2-aminoethyl-[(3-fluorophenyl)-oxomethyl]amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[2-aminoethyl-(3-fluorobenzoyl)amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[2-aminoethyl-(3-fluorobenzoyl)amino]methyl]benzyl]phosphonic acid Formula: C17H20FN2O4P MolecularWeight: 366.323864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20FN2O4P/c18-16-3-1-2-15(10-16)17(21)20(9-8-19)11-13-4-6-14(7-5-13)12-25(22,23)24/h1-7,10H,8-9,11-12,19H2,(H2,22,23,24)