4-[1,3-bis(oxidanylidene)-2-phenyl-isoindol-4-yl]but-3-ynyl 2,2-dimethylpropanoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)-2-phenyl-isoindol-4-yl]but-3-ynyl 2,2-dimethylpropanoate Openeye Name: 4-(1,3-dioxo-2-phenyl-isoindolin-4-yl)but-3-ynyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 4-(1,3-dioxo-2-phenyl-4-isoindolyl)but-3-ynyl ester IUPAC Name: 4-(1,3-dioxo-2-phenylisoindol-4-yl)but-3-ynyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 4-(1,3-diketo-2-phenyl-isoindolin-4-yl)but-3-ynyl ester Formula: C23H21NO4 MolecularWeight: 375.41714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCC#CC1=C2C(=CC=C1)C(=O)N(C2=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)OCCC#CC1=C2C(=CC=C1)C(=O)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C23H21NO4/c1-23(2,3)22(27)28-15-8-7-10-16-11-9-14-18-19(16)21(26)24(20(18)25)17-12-5-4-6-13-17/h4-6,9,11-14H,8,15H2,1-3H3