2-cyanoethyl [8-(4-cyanonaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl] ethyl phosphate

Systemtic Name: 2-cyanoethyl [8-(4-cyanonaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl] ethyl phosphate Openeye Name: 2-cyanoethyl [8-(4-cyano-1-naphthyl)-8-azabicyclo[3.2.1]octan-3-yl] ethyl phosphate CAS Name: phosphoric acid 2-cyanoethyl [8-(4-cyano-1-naphthalenyl)-8-azabicyclo[3.2.1]octan-3-yl] ethyl ester IUPAC Name: 2-cyanoethyl [8-(4-cyanonaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl] ethyl phosphate Traditional Name: phosphoric acid 2-cyanoethyl [8-(4-cyano-1-naphthyl)-8-azabicyclo[3.2.1]octan-3-yl] ethyl ester Formula: C23H26N3O4P MolecularWeight: 439.444001

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCCC#N)OC1CC2CCC(C1)N2C3=CC=C(C4=CC=CC=C43)C#N

Isomeric SMILES

CCOP(=O)(OCCC#N)OC1CC2CCC(C1)N2C3=CC=C(C4=CC=CC=C43)C#N

InChI

InChI=1S/C23H26N3O4P/c1-2-28-31(27,29-13-5-12-24)30-20-14-18-9-10-19(15-20)26(18)23-11-8-17(16-25)21-6-3-4-7-22(21)23/h3-4,6-8,11,18-20H,2,5,9-10,13-15H2,1H3