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

Systemtic Name: (E)-3-[4-[2-(3-bromanylphenoxy)ethoxy]-3-methoxy-phenyl]-2-cyano-N-cyclopropyl-prop-2-enamide Openeye Name: (E)-3-[4-[2-(3-bromophenoxy)ethoxy]-3-methoxy-phenyl]-2-cyano-N-cyclopropyl-prop-2-enamide CAS Name: (E)-3-[4-[2-(3-bromophenoxy)ethoxy]-3-methoxyphenyl]-2-cyano-N-cyclopropyl-2-propenamide IUPAC Name: (E)-3-[4-[2-(3-bromophenoxy)ethoxy]-3-methoxyphenyl]-2-cyano-N-cyclopropylprop-2-enamide Traditional Name: (E)-3-[4-[2-(3-bromophenoxy)ethoxy]-3-methoxy-phenyl]-2-cyano-N-cyclopropyl-acrylamide Formula: C22H21BrN2O4 MolecularWeight: 457.31714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2CC2)OCCOC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2CC2)OCCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H21BrN2O4/c1-27-21-12-15(11-16(14-24)22(26)25-18-6-7-18)5-8-20(21)29-10-9-28-19-4-2-3-17(23)13-19/h2-5,8,11-13,18H,6-7,9-10H2,1H3,(H,25,26)/b16-11+