methyl 4-[1-(2-methyl-3-oxidanylidene-1H-isoindol-1-yl)but-3-enyl]benzoate

Systemtic Name: methyl 4-[1-(2-methyl-3-oxidanylidene-1H-isoindol-1-yl)but-3-enyl]benzoate Openeye Name: methyl 4-[1-(2-methyl-3-oxo-isoindolin-1-yl)but-3-enyl]benzoate CAS Name: 4-[1-(2-methyl-3-oxo-1H-isoindol-1-yl)but-3-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(2-methyl-3-oxo-1H-isoindol-1-yl)but-3-enyl]benzoate Traditional Name: 4-[1-(3-keto-2-methyl-isoindolin-1-yl)but-3-enyl]benzoic acid methyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(C2=CC=CC=C2C1=O)C(CC=C)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C(C2=CC=CC=C2C1=O)C(CC=C)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H21NO3/c1-4-7-16(14-10-12-15(13-11-14)21(24)25-3)19-17-8-5-6-9-18(17)20(23)22(19)2/h4-6,8-13,16,19H,1,7H2,2-3H3