(4-propan-2-ylphenyl)methyl 2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanoate

Systemtic Name: (4-propan-2-ylphenyl)methyl 2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanoate Openeye Name: (4-isopropylphenyl)methyl 2-(1-methylene-3-oxo-isoindolin-2-yl)acetate CAS Name: 2-(1-methylene-3-oxo-2-isoindolyl)acetic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate Traditional Name: 2-(1-keto-3-methylene-isoindolin-2-yl)acetic acid (4-isopropylbenzyl) ester Formula: C21H21NO3 MolecularWeight: 335.39634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)COC(=O)CN2C(=C)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)COC(=O)CN2C(=C)C3=CC=CC=C3C2=O

InChI

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