[(3-cyanophenyl)-[(4-propylphenyl)amino]methyl]phosphonic acid

Systemtic Name: [(3-cyanophenyl)-[(4-propylphenyl)amino]methyl]phosphonic acid Openeye Name: [(3-cyanophenyl)-(4-propylanilino)methyl]phosphonic acid CAS Name: [(3-cyanophenyl)-(4-propylanilino)methyl]phosphonic acid IUPAC Name: [(3-cyanophenyl)-(4-propylanilino)methyl]phosphonic acid Traditional Name: [(3-cyanophenyl)-(4-propylanilino)methyl]phosphonic acid Formula: C17H19N2O3P MolecularWeight: 330.318121

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC(C2=CC=CC(=C2)C#N)P(=O)(O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)NC(C2=CC=CC(=C2)C#N)P(=O)(O)O

InChI

InChI=1S/C17H19N2O3P/c1-2-4-13-7-9-16(10-8-13)19-17(23(20,21)22)15-6-3-5-14(11-15)12-18/h3,5-11,17,19H,2,4H2,1H3,(H2,20,21,22)