(E)-3-(5-bromanyl-2-phenylmethoxy-phenyl)-2-cyano-N-(3-methoxypropyl)prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-phenylmethoxy-phenyl)-2-cyano-N-(3-methoxypropyl)prop-2-enamide Openeye Name: (E)-3-(2-benzyloxy-5-bromo-phenyl)-2-cyano-N-(3-methoxypropyl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-phenylmethoxyphenyl)-2-cyano-N-(3-methoxypropyl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-phenylmethoxyphenyl)-2-cyano-N-(3-methoxypropyl)prop-2-enamide Traditional Name: (E)-3-(2-benzoxy-5-bromo-phenyl)-2-cyano-N-(3-methoxypropyl)acrylamide Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C(=CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C#N

Isomeric SMILES

COCCCNC(=O)/C(=C/C1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)/C#N

InChI

InChI=1S/C21H21BrN2O3/c1-26-11-5-10-24-21(25)18(14-23)12-17-13-19(22)8-9-20(17)27-15-16-6-3-2-4-7-16/h2-4,6-9,12-13H,5,10-11,15H2,1H3,(H,24,25)/b18-12+