pentyl (E)-4-oxidanylidene-4-(4-phenoxyphenyl)but-2-enoate

Systemtic Name: pentyl (E)-4-oxidanylidene-4-(4-phenoxyphenyl)but-2-enoate Openeye Name: pentyl (E)-4-oxo-4-(4-phenoxyphenyl)but-2-enoate CAS Name: (E)-4-oxo-4-(4-phenoxyphenyl)-2-butenoic acid pentyl ester IUPAC Name: pentyl (E)-4-oxo-4-(4-phenoxyphenyl)but-2-enoate Traditional Name: (E)-4-keto-4-(4-phenoxyphenyl)but-2-enoic acid amyl ester Formula: C21H22O4 MolecularWeight: 338.39698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C=CC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2

Isomeric SMILES

CCCCCOC(=O)/C=C/C(=O)C1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C21H22O4/c1-2-3-7-16-24-21(23)15-14-20(22)17-10-12-19(13-11-17)25-18-8-5-4-6-9-18/h4-6,8-15H,2-3,7,16H2,1H3/b15-14+