(E)-3-(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-2-cyano-N-(phenylmethyl)prop-2-enamide

Systemtic Name: (E)-3-(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-N-benzyl-3-(4-benzyloxy-2-bromo-5-methoxy-phenyl)-2-cyano-prop-2-enamide CAS Name: (E)-3-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-3-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-(4-benzoxy-2-bromo-5-methoxy-phenyl)-N-benzyl-2-cyano-acrylamide Formula: C25H21BrN2O3 MolecularWeight: 477.34984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CC=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C25H21BrN2O3/c1-30-23-13-20(22(26)14-24(23)31-17-19-10-6-3-7-11-19)12-21(15-27)25(29)28-16-18-8-4-2-5-9-18/h2-14H,16-17H2,1H3,(H,28,29)/b21-12+