[4-[[2-azanylethyl-[(4-cyanophenyl)methyl]amino]methyl]phenyl]methylphosphonic acid

Systemtic Name: [4-[[2-azanylethyl-[(4-cyanophenyl)methyl]amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[2-aminoethyl-[(4-cyanophenyl)methyl]amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[2-aminoethyl-[(4-cyanophenyl)methyl]amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[2-aminoethyl-[(4-cyanophenyl)methyl]amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[2-aminoethyl-(4-cyanobenzyl)amino]methyl]benzyl]phosphonic acid Formula: C18H22N3O3P MolecularWeight: 359.359341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N3O3P/c19-9-10-21(12-16-3-1-15(11-20)2-4-16)13-17-5-7-18(8-6-17)14-25(22,23)24/h1-8H,9-10,12-14,19H2,(H2,22,23,24)