4-[3-cyano-1-[di(propan-2-yl)amino]phosphanyloxy-propyl]benzoic acid

Systemtic Name: 4-[3-cyano-1-[di(propan-2-yl)amino]phosphanyloxy-propyl]benzoic acid Openeye Name: 4-[3-cyano-1-(diisopropylamino)phosphanyloxy-propyl]benzoic acid CAS Name: 4-[3-cyano-1-[di(propan-2-yl)amino]phosphinooxypropyl]benzoic acid IUPAC Name: 4-[3-cyano-1-[di(propan-2-yl)amino]phosphanyloxypropyl]benzoic acid Traditional Name: 4-[3-cyano-1-(diisopropylamino)phosphinooxy-propyl]benzoic acid Formula: C17H25N2O3P MolecularWeight: 336.365761

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)POC(CCC#N)C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)N(C(C)C)POC(CCC#N)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C17H25N2O3P/c1-12(2)19(13(3)4)23-22-16(6-5-11-18)14-7-9-15(10-8-14)17(20)21/h7-10,12-13,16,23H,5-6H2,1-4H3,(H,20,21)