[(3-cyanophenyl)-[(4-propylphenyl)amino]methyl]phosphonic acid; propan-2-ol

Systemtic Name: [(3-cyanophenyl)-[(4-propylphenyl)amino]methyl]phosphonic acid; propan-2-ol Openeye Name: [(3-cyanophenyl)-(4-propylanilino)methyl]phosphonic acid; propan-2-ol CAS Name: [(3-cyanophenyl)-(4-propylanilino)methyl]phosphonic acid; 2-propanol IUPAC Name: [(3-cyanophenyl)-(4-propylanilino)methyl]phosphonic acid; propan-2-ol Traditional Name: [(3-cyanophenyl)-(4-propylanilino)methyl]phosphonic acid; propan-2-ol Formula: C20H27N2O4P MolecularWeight: 390.413141

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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.CC(C)O

Isomeric SMILES

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

InChI

InChI=1S/C17H19N2O3P.C3H8O/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;1-3(2)4/h3,5-11,17,19H,2,4H2,1H3,(H2,20,21,22);3-4H,1-2H3