[(4-cyanophenyl)-[(2-methylphenyl)methylamino]methyl]phosphonic acid

Systemtic Name: [(4-cyanophenyl)-[(2-methylphenyl)methylamino]methyl]phosphonic acid Openeye Name: [(4-cyanophenyl)-(o-tolylmethylamino)methyl]phosphonic acid CAS Name: [(4-cyanophenyl)-[(2-methylphenyl)methylamino]methyl]phosphonic acid IUPAC Name: [(4-cyanophenyl)-[(2-methylphenyl)methylamino]methyl]phosphonic acid Traditional Name: [(4-cyanophenyl)-[(2-methylbenzyl)amino]methyl]phosphonic acid Formula: C16H17N2O3P MolecularWeight: 316.291541

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(C2=CC=C(C=C2)C#N)P(=O)(O)O

Isomeric SMILES

CC1=CC=CC=C1CNC(C2=CC=C(C=C2)C#N)P(=O)(O)O

InChI

InChI=1S/C16H17N2O3P/c1-12-4-2-3-5-15(12)11-18-16(22(19,20)21)14-8-6-13(10-17)7-9-14/h2-9,16,18H,11H2,1H3,(H2,19,20,21)