(E)-2-(4-fluorophenyl)carbonyl-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-fluorophenyl)carbonyl-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-3-(4-benzyloxy-3-methoxy-phenyl)-2-(4-fluorobenzoyl)prop-2-enenitrile CAS Name: (E)-2-[(4-fluorophenyl)-oxomethyl]-3-(3-methoxy-4-phenylmethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-fluorobenzoyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-3-(4-benzoxy-3-methoxy-phenyl)-2-(4-fluorobenzoyl)acrylonitrile Formula: C24H18FNO3 MolecularWeight: 387.403023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18FNO3/c1-28-23-14-18(7-12-22(23)29-16-17-5-3-2-4-6-17)13-20(15-26)24(27)19-8-10-21(25)11-9-19/h2-14H,16H2,1H3/b20-13+