tert-butyl (E)-3-[3-bromanyl-5-(pyridin-3-ylmethyl)phenyl]prop-2-enoate

Systemtic Name: tert-butyl (E)-3-[3-bromanyl-5-(pyridin-3-ylmethyl)phenyl]prop-2-enoate Openeye Name: tert-butyl (E)-3-[3-bromo-5-(3-pyridylmethyl)phenyl]prop-2-enoate CAS Name: (E)-3-[3-bromo-5-(3-pyridinylmethyl)phenyl]-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-[3-bromo-5-(pyridin-3-ylmethyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-bromo-5-(3-pyridylmethyl)phenyl]acrylic acid tert-butyl ester Formula: C19H20BrNO2 MolecularWeight: 374.2716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=CC1=CC(=CC(=C1)Br)CC2=CN=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/C1=CC(=CC(=C1)Br)CC2=CN=CC=C2

InChI

InChI=1S/C19H20BrNO2/c1-19(2,3)23-18(22)7-6-14-9-16(12-17(20)11-14)10-15-5-4-8-21-13-15/h4-9,11-13H,10H2,1-3H3/b7-6+