tert-butyl 2-[4-(7-chloranyl-3-oxidanylidene-1H-isoindol-2-yl)phenyl]propanoate

Systemtic Name: tert-butyl 2-[4-(7-chloranyl-3-oxidanylidene-1H-isoindol-2-yl)phenyl]propanoate Openeye Name: tert-butyl 2-[4-(4-chloro-1-oxo-isoindolin-2-yl)phenyl]propanoate CAS Name: 2-[4-(7-chloro-3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(7-chloro-3-oxo-1H-isoindol-2-yl)phenyl]propanoate Traditional Name: 2-[4-(4-chloro-1-keto-isoindolin-2-yl)phenyl]propionic acid tert-butyl ester Formula: C21H22ClNO3 MolecularWeight: 371.85728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2CC3=C(C2=O)C=CC=C3Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C1=CC=C(C=C1)N2CC3=C(C2=O)C=CC=C3Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H22ClNO3/c1-13(20(25)26-21(2,3)4)14-8-10-15(11-9-14)23-12-17-16(19(23)24)6-5-7-18(17)22/h5-11,13H,12H2,1-4H3