(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-cyano-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-cyano-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide Openeye Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-[(1R,2S)-2-methylcyclohexyl]-2-propenamide IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-N-[(1R,2S)-2-methylcyclohexyl]acrylamide Formula: C18H21BrN2O3 MolecularWeight: 393.27494

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(=CC2=CC(=C(C(=C2)Br)O)OC)C#N

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)/C(=C/C2=CC(=C(C(=C2)Br)O)OC)/C#N

InChI

InChI=1S/C18H21BrN2O3/c1-11-5-3-4-6-15(11)21-18(23)13(10-20)7-12-8-14(19)17(22)16(9-12)24-2/h7-9,11,15,22H,3-6H2,1-2H3,(H,21,23)/b13-7+/t11-,15+/m0/s1