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

Systemtic Name: [4-[[3-azanylpropyl-[(4-cyanophenyl)methyl]amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[3-aminopropyl-[(4-cyanophenyl)methyl]amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[3-aminopropyl-[(4-cyanophenyl)methyl]amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[3-aminopropyl-[(4-cyanophenyl)methyl]amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[3-aminopropyl-(4-cyanobenzyl)amino]methyl]benzyl]phosphonic acid Formula: C19H24N3O3P MolecularWeight: 373.385921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(CCCN)CC2=CC=C(C=C2)C#N)CP(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1CN(CCCN)CC2=CC=C(C=C2)C#N)CP(=O)(O)O

InChI

InChI=1S/C19H24N3O3P/c20-10-1-11-22(13-17-4-2-16(12-21)3-5-17)14-18-6-8-19(9-7-18)15-26(23,24)25/h2-9H,1,10-11,13-15,20H2,(H2,23,24,25)