(E)-3-(5-bromanyl-2-prop-2-ynoxy-phenyl)-2-cyano-N-[(1R)-1-phenylethyl]prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-prop-2-ynoxy-phenyl)-2-cyano-N-[(1R)-1-phenylethyl]prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-prop-2-ynoxy-phenyl)-2-cyano-N-[(1R)-1-phenylethyl]prop-2-enamide CAS Name: (E)-3-(5-bromo-2-prop-2-ynoxyphenyl)-2-cyano-N-[(1R)-1-phenylethyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-prop-2-ynoxyphenyl)-2-cyano-N-[(1R)-1-phenylethyl]prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-propargyloxy-phenyl)-2-cyano-N-[(1R)-1-phenylethyl]acrylamide Formula: C21H17BrN2O2 MolecularWeight: 409.27588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(=CC2=C(C=CC(=C2)Br)OCC#C)C#N

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)/C(=C/C2=C(C=CC(=C2)Br)OCC#C)/C#N

InChI

InChI=1S/C21H17BrN2O2/c1-3-11-26-20-10-9-19(22)13-17(20)12-18(14-23)21(25)24-15(2)16-7-5-4-6-8-16/h1,4-10,12-13,15H,11H2,2H3,(H,24,25)/b18-12+/t15-/m1/s1