3-[[di(propan-2-yl)amino]-[1-methoxy-3-(2-oxidanylidenechromen-7-yl)oxy-propan-2-yl]oxy-phosphanyl]oxypropanenitrile

Systemtic Name: 3-[[di(propan-2-yl)amino]-[1-methoxy-3-(2-oxidanylidenechromen-7-yl)oxy-propan-2-yl]oxy-phosphanyl]oxypropanenitrile Openeye Name: 3-[(diisopropylamino)-[1-(methoxymethyl)-2-(2-oxochromen-7-yl)oxy-ethoxy]phosphanyl]oxypropanenitrile CAS Name: 3-[[di(propan-2-yl)amino]-[1-methoxy-3-[(2-oxo-1-benzopyran-7-yl)oxy]propan-2-yl]oxyphosphino]oxypropanenitrile IUPAC Name: 3-[[di(propan-2-yl)amino]-[1-methoxy-3-(2-oxochromen-7-yl)oxypropan-2-yl]oxyphosphanyl]oxypropanenitrile Traditional Name: 3-[(diisopropylamino)-[1-[(2-ketochromen-7-yl)oxymethyl]-2-methoxy-ethoxy]phosphino]oxypropionitrile Formula: C22H31N2O6P MolecularWeight: 450.465101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)P(OCCC#N)OC(COC)COC1=CC2=C(C=C1)C=CC(=O)O2

Isomeric SMILES

CC(C)N(C(C)C)P(OCCC#N)OC(COC)COC1=CC2=C(C=C1)C=CC(=O)O2

InChI

InChI=1S/C22H31N2O6P/c1-16(2)24(17(3)4)31(28-12-6-11-23)30-20(14-26-5)15-27-19-9-7-18-8-10-22(25)29-21(18)13-19/h7-10,13,16-17,20H,6,12,14-15H2,1-5H3