[(4-cyanophenyl)-[2-(4-methoxyphenyl)ethylamino]methyl]phosphonic acid; propan-2-ol

Systemtic Name: [(4-cyanophenyl)-[2-(4-methoxyphenyl)ethylamino]methyl]phosphonic acid; propan-2-ol Openeye Name: [(4-cyanophenyl)-[2-(4-methoxyphenyl)ethylamino]methyl]phosphonic acid; propan-2-ol CAS Name: [(4-cyanophenyl)-[2-(4-methoxyphenyl)ethylamino]methyl]phosphonic acid; 2-propanol IUPAC Name: [(4-cyanophenyl)-[2-(4-methoxyphenyl)ethylamino]methyl]phosphonic acid; propan-2-ol Traditional Name: [(4-cyanophenyl)-[2-(4-methoxyphenyl)ethylamino]methyl]phosphonic acid; propan-2-ol Formula: C20H27N2O5P MolecularWeight: 406.412541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.COC1=CC=C(C=C1)CCNC(C2=CC=C(C=C2)C#N)P(=O)(O)O

Isomeric SMILES

CC(C)O.COC1=CC=C(C=C1)CCNC(C2=CC=C(C=C2)C#N)P(=O)(O)O

InChI

InChI=1S/C17H19N2O4P.C3H8O/c1-23-16-8-4-13(5-9-16)10-11-19-17(24(20,21)22)15-6-2-14(12-18)3-7-15;1-3(2)4/h2-9,17,19H,10-11H2,1H3,(H2,20,21,22);3-4H,1-2H3