3-[4-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]-2-cyano-N-cyclohexyl-prop-2-enamide

Systemtic Name: 3-[4-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]-2-cyano-N-cyclohexyl-prop-2-enamide Openeye Name: 3-[4-[2-(4-bromoanilino)-2-oxo-ethoxy]-3-methoxy-phenyl]-2-cyano-N-cyclohexyl-prop-2-enamide CAS Name: 3-[4-[2-(4-bromoanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-cyano-N-cyclohexyl-2-propenamide IUPAC Name: 3-[4-[2-(4-bromoanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-cyano-N-cyclohexylprop-2-enamide Traditional Name: 3-[4-[2-(4-bromoanilino)-2-keto-ethoxy]-3-methoxy-phenyl]-2-cyano-N-cyclohexyl-acrylamide Formula: C25H26BrN3O4 MolecularWeight: 512.39564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2CCCCC2)OCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2CCCCC2)OCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C25H26BrN3O4/c1-32-23-14-17(13-18(15-27)25(31)29-20-5-3-2-4-6-20)7-12-22(23)33-16-24(30)28-21-10-8-19(26)9-11-21/h7-14,20H,2-6,16H2,1H3,(H,28,30)(H,29,31)