(E)-3-[4-[(4-bromanylphenoxy)methyl]-3-ethoxy-phenyl]-2-cyano-N-(3-ethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-3-[4-[(4-bromanylphenoxy)methyl]-3-ethoxy-phenyl]-2-cyano-N-(3-ethoxyphenyl)prop-2-enamide Openeye Name: (E)-3-[4-[(4-bromophenoxy)methyl]-3-ethoxy-phenyl]-2-cyano-N-(3-ethoxyphenyl)prop-2-enamide CAS Name: (E)-3-[4-[(4-bromophenoxy)methyl]-3-ethoxyphenyl]-2-cyano-N-(3-ethoxyphenyl)-2-propenamide IUPAC Name: (E)-3-[4-[(4-bromophenoxy)methyl]-3-ethoxyphenyl]-2-cyano-N-(3-ethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-[4-[(4-bromophenoxy)methyl]-3-ethoxy-phenyl]-2-cyano-N-m-phenetyl-acrylamide Formula: C27H25BrN2O4 MolecularWeight: 521.4024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)NC(=O)C(=CC2=CC(=C(C=C2)COC3=CC=C(C=C3)Br)OCC)C#N

Isomeric SMILES

CCOC1=CC=CC(=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)COC3=CC=C(C=C3)Br)OCC)/C#N

InChI

InChI=1S/C27H25BrN2O4/c1-3-32-25-7-5-6-23(16-25)30-27(31)21(17-29)14-19-8-9-20(26(15-19)33-4-2)18-34-24-12-10-22(28)11-13-24/h5-16H,3-4,18H2,1-2H3,(H,30,31)/b21-14+