[(3-cyanophenyl)-[2-(2-methylphenyl)ethylamino]methyl]phosphonic acid

Systemtic Name: [(3-cyanophenyl)-[2-(2-methylphenyl)ethylamino]methyl]phosphonic acid Openeye Name: [(3-cyanophenyl)-[2-(o-tolyl)ethylamino]methyl]phosphonic acid CAS Name: [(3-cyanophenyl)-[2-(2-methylphenyl)ethylamino]methyl]phosphonic acid IUPAC Name: [(3-cyanophenyl)-[2-(2-methylphenyl)ethylamino]methyl]phosphonic acid Traditional Name: [(3-cyanophenyl)-[2-(o-tolyl)ethylamino]methyl]phosphonic acid Formula: C17H19N2O3P MolecularWeight: 330.318121

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(C2=CC=CC(=C2)C#N)P(=O)(O)O

Isomeric SMILES

CC1=CC=CC=C1CCNC(C2=CC=CC(=C2)C#N)P(=O)(O)O

InChI

InChI=1S/C17H19N2O3P/c1-13-5-2-3-7-15(13)9-10-19-17(23(20,21)22)16-8-4-6-14(11-16)12-18/h2-8,11,17,19H,9-10H2,1H3,(H2,20,21,22)