(E)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-3-(4-benzoxy-3-bromo-5-methoxy-phenyl)-2-benzoyl-acrylonitrile Formula: C24H18BrNO3 MolecularWeight: 448.30862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)C2=CC=CC=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)C2=CC=CC=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C24H18BrNO3/c1-28-22-14-18(12-20(15-26)23(27)19-10-6-3-7-11-19)13-21(25)24(22)29-16-17-8-4-2-5-9-17/h2-14H,16H2,1H3/b20-12+