1-azabicyclo[2.2.2]octan-3-yl (Z)-2-phenyl-3-pyrimidin-4-yl-prop-2-enoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl (Z)-2-phenyl-3-pyrimidin-4-yl-prop-2-enoate Openeye Name: quinuclidin-3-yl (Z)-2-phenyl-3-pyrimidin-4-yl-prop-2-enoate CAS Name: (Z)-2-phenyl-3-(4-pyrimidinyl)-2-propenoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl (Z)-2-phenyl-3-pyrimidin-4-ylprop-2-enoate Traditional Name: (Z)-2-phenyl-3-(4-pyrimidyl)acrylic acid quinuclidin-3-yl ester Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C(=CC3=NC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)/C(=C\C3=NC=NC=C3)/C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O2/c24-20(25-19-13-23-10-7-16(19)8-11-23)18(15-4-2-1-3-5-15)12-17-6-9-21-14-22-17/h1-6,9,12,14,16,19H,7-8,10-11,13H2/b18-12-