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

Systemtic Name: 2-cyanoethyl [8-(4-cyanonaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl] phenyl phosphate Openeye Name: 2-cyanoethyl [8-(4-cyano-1-naphthyl)-8-azabicyclo[3.2.1]octan-3-yl] phenyl phosphate CAS Name: phosphoric acid 2-cyanoethyl [8-(4-cyano-1-naphthalenyl)-8-azabicyclo[3.2.1]octan-3-yl] phenyl ester IUPAC Name: 2-cyanoethyl [8-(4-cyanonaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl] phenyl phosphate Traditional Name: phosphoric acid 2-cyanoethyl [8-(4-cyano-1-naphthyl)-8-azabicyclo[3.2.1]octan-3-yl] phenyl ester Formula: C27H26N3O4P MolecularWeight: 487.486801

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC1N2C3=CC=C(C4=CC=CC=C43)C#N)OP(=O)(OCCC#N)OC5=CC=CC=C5

Isomeric SMILES

C1CC2CC(CC1N2C3=CC=C(C4=CC=CC=C43)C#N)OP(=O)(OCCC#N)OC5=CC=CC=C5

InChI

InChI=1S/C27H26N3O4P/c28-15-6-16-32-35(31,33-23-7-2-1-3-8-23)34-24-17-21-12-13-22(18-24)30(21)27-14-11-20(19-29)25-9-4-5-10-26(25)27/h1-5,7-11,14,21-22,24H,6,12-13,16-18H2