2-[2-methoxy-4-[(E)-3-oxidanylidene-3-(4-phenylmethoxyphenyl)prop-1-enyl]phenoxy]ethanenitrile

Systemtic Name: 2-[2-methoxy-4-[(E)-3-oxidanylidene-3-(4-phenylmethoxyphenyl)prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(4-benzyloxyphenyl)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[2-methoxy-4-[(E)-3-oxo-3-(4-phenylmethoxyphenyl)prop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[2-methoxy-4-[(E)-3-oxo-3-(4-phenylmethoxyphenyl)prop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(4-benzoxyphenyl)-3-keto-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C25H21NO4 MolecularWeight: 399.43854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21NO4/c1-28-25-17-19(8-14-24(25)29-16-15-26)7-13-23(27)21-9-11-22(12-10-21)30-18-20-5-3-2-4-6-20/h2-14,17H,16,18H2,1H3/b13-7+