ditert-butyl [2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxidanylidene-ethyl] phosphate

Systemtic Name: ditert-butyl [2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxidanylidene-ethyl] phosphate Openeye Name: ditert-butyl [2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-1-piperidyl]-2-oxo-ethyl] phosphate CAS Name: phosphoric acid ditert-butyl [2-[4-[3-(4-chlorophenyl)-4-(4-pyrimidinyl)-1H-pyrazol-5-yl]-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: ditert-butyl [2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl] phosphate Traditional Name: phosphoric acid ditert-butyl [2-[4-[3-(4-chlorophenyl)-4-(4-pyrimidyl)-1H-pyrazol-5-yl]piperidino]-2-keto-ethyl] ester Formula: C28H37ClN5O5P MolecularWeight: 590.050641

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OP(=O)(OCC(=O)N1CCC(CC1)C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OP(=O)(OCC(=O)N1CCC(CC1)C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4)OC(C)(C)C

InChI

InChI=1S/C28H37ClN5O5P/c1-27(2,3)38-40(36,39-28(4,5)6)37-17-23(35)34-15-12-20(13-16-34)26-24(22-11-14-30-18-31-22)25(32-33-26)19-7-9-21(29)10-8-19/h7-11,14,18,20H,12-13,15-17H2,1-6H3,(H,32,33)