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

Systemtic Name: tert-butyl 2-[4-[4-(4-chlorophenyl)-3-oxidanylidene-1H-isoindol-2-yl]phenyl]propanoate Openeye Name: tert-butyl 2-[4-[7-(4-chlorophenyl)-1-oxo-isoindolin-2-yl]phenyl]propanoate CAS Name: 2-[4-[4-(4-chlorophenyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[4-(4-chlorophenyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoate Traditional Name: 2-[4-[7-(4-chlorophenyl)-1-keto-isoindolin-2-yl]phenyl]propionic acid tert-butyl ester Formula: C27H26ClNO3 MolecularWeight: 447.95324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2CC3=CC=CC(=C3C2=O)C4=CC=C(C=C4)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C1=CC=C(C=C1)N2CC3=CC=CC(=C3C2=O)C4=CC=C(C=C4)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H26ClNO3/c1-17(26(31)32-27(2,3)4)18-10-14-22(15-11-18)29-16-20-6-5-7-23(24(20)25(29)30)19-8-12-21(28)13-9-19/h5-15,17H,16H2,1-4H3