tert-butyl 2-[4-[6-(3,4-dichlorophenyl)-3-oxidanylidene-1H-isoindol-2-yl]phenyl]propanoate

Systemtic Name: tert-butyl 2-[4-[6-(3,4-dichlorophenyl)-3-oxidanylidene-1H-isoindol-2-yl]phenyl]propanoate Openeye Name: tert-butyl 2-[4-[5-(3,4-dichlorophenyl)-1-oxo-isoindolin-2-yl]phenyl]propanoate CAS Name: 2-[4-[6-(3,4-dichlorophenyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[6-(3,4-dichlorophenyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoate Traditional Name: 2-[4-[5-(3,4-dichlorophenyl)-1-keto-isoindolin-2-yl]phenyl]propionic acid tert-butyl ester Formula: C27H25Cl2NO3 MolecularWeight: 482.3983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2CC3=C(C2=O)C=CC(=C3)C4=CC(=C(C=C4)Cl)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C1=CC=C(C=C1)N2CC3=C(C2=O)C=CC(=C3)C4=CC(=C(C=C4)Cl)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H25Cl2NO3/c1-16(26(32)33-27(2,3)4)17-5-9-21(10-6-17)30-15-20-13-18(7-11-22(20)25(30)31)19-8-12-23(28)24(29)14-19/h5-14,16H,15H2,1-4H3