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

Systemtic Name: [4-[[2-azanylethyl-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[2-aminoethyl-(4-cyanobenzoyl)amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[2-aminoethyl-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[2-aminoethyl-(4-cyanobenzoyl)amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[2-aminoethyl-(4-cyanobenzoyl)amino]methyl]benzyl]phosphonic acid Formula: C18H20N3O4P MolecularWeight: 373.342861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N3O4P/c19-9-10-21(18(22)17-7-5-14(11-20)6-8-17)12-15-1-3-16(4-2-15)13-26(23,24)25/h1-8H,9-10,12-13,19H2,(H2,23,24,25)