methyl 2-(2-butyl-3-oxidanylidene-1-phenyl-isoindol-1-yl)ethanoate

Systemtic Name: methyl 2-(2-butyl-3-oxidanylidene-1-phenyl-isoindol-1-yl)ethanoate Openeye Name: methyl 2-(2-butyl-3-oxo-1-phenyl-isoindolin-1-yl)acetate CAS Name: 2-(2-butyl-3-oxo-1-phenyl-1-isoindolyl)acetic acid methyl ester IUPAC Name: methyl 2-(2-butyl-3-oxo-1-phenylisoindol-1-yl)acetate Traditional Name: 2-(2-butyl-3-keto-1-phenyl-isoindolin-1-yl)acetic acid methyl ester Formula: C21H23NO3 MolecularWeight: 337.41222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C1(CC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C1(CC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO3/c1-3-4-14-22-20(24)17-12-8-9-13-18(17)21(22,15-19(23)25-2)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3