2-[(E)-4-(4-propoxyphenyl)but-3-enyl]isoindole-1,3-dione

Systemtic Name: 2-[(E)-4-(4-propoxyphenyl)but-3-enyl]isoindole-1,3-dione Openeye Name: 2-[(E)-4-(4-propoxyphenyl)but-3-enyl]isoindoline-1,3-dione CAS Name: 2-[(E)-4-(4-propoxyphenyl)but-3-enyl]isoindole-1,3-dione IUPAC Name: 2-[(E)-4-(4-propoxyphenyl)but-3-enyl]isoindole-1,3-dione Traditional Name: 2-[(E)-4-(4-propoxyphenyl)but-3-enyl]isoindoline-1,3-quinone Formula: C21H21NO3 MolecularWeight: 335.39634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C/CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21NO3/c1-2-15-25-17-12-10-16(11-13-17)7-5-6-14-22-20(23)18-8-3-4-9-19(18)21(22)24/h3-5,7-13H,2,6,14-15H2,1H3/b7-5+