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

Systemtic Name: tert-butyl 2-[3-(4-methylphenyl)-4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]propanoate Openeye Name: tert-butyl 2-[4-(1-oxoisoindolin-2-yl)-3-(p-tolyl)phenyl]propanoate CAS Name: 2-[3-(4-methylphenyl)-4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(4-methylphenyl)-4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoate Traditional Name: 2-[4-(1-ketoisoindolin-2-yl)-3-(p-tolyl)phenyl]propionic acid tert-butyl ester Formula: C28H29NO3 MolecularWeight: 427.53476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=CC(=C2)C(C)C(=O)OC(C)(C)C)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=CC(=C2)C(C)C(=O)OC(C)(C)C)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C28H29NO3/c1-18-10-12-20(13-11-18)24-16-21(19(2)27(31)32-28(3,4)5)14-15-25(24)29-17-22-8-6-7-9-23(22)26(29)30/h6-16,19H,17H2,1-5H3