tert-butyl (E)-3-[6-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]pyridin-2-yl]prop-2-enoate

Systemtic Name: tert-butyl (E)-3-[6-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]pyridin-2-yl]prop-2-enoate Openeye Name: tert-butyl (E)-3-[6-[(E)-3-oxo-3-phenyl-prop-1-enyl]-2-pyridyl]prop-2-enoate CAS Name: (E)-3-[6-[(E)-3-oxo-3-phenylprop-1-enyl]-2-pyridinyl]-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-[6-[(E)-3-oxo-3-phenylprop-1-enyl]pyridin-2-yl]prop-2-enoate Traditional Name: (E)-3-[6-[(E)-3-keto-3-phenyl-prop-1-enyl]-2-pyridyl]acrylic acid tert-butyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=CC1=CC=CC(=N1)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/C1=CC=CC(=N1)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H21NO3/c1-21(2,3)25-20(24)15-13-18-11-7-10-17(22-18)12-14-19(23)16-8-5-4-6-9-16/h4-15H,1-3H3/b14-12+,15-13+