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

Systemtic Name: [4-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[3-aminopropyl-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]benzyl]phosphonic acid Formula: C19H22N3O4P MolecularWeight: 387.369441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(CCCN)C(=O)C2=CC=C(C=C2)C#N)CP(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1CN(CCCN)C(=O)C2=CC=C(C=C2)C#N)CP(=O)(O)O

InChI

InChI=1S/C19H22N3O4P/c20-10-1-11-22(19(23)18-8-6-15(12-21)7-9-18)13-16-2-4-17(5-3-16)14-27(24,25)26/h2-9H,1,10-11,13-14,20H2,(H2,24,25,26)