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

Systemtic Name: tert-butyl 2-[4-(3-oxidanylidene-6-phenyl-1H-isoindol-2-yl)phenyl]propanoate Openeye Name: tert-butyl 2-[4-(1-oxo-5-phenyl-isoindolin-2-yl)phenyl]propanoate CAS Name: 2-[4-(3-oxo-6-phenyl-1H-isoindol-2-yl)phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(3-oxo-6-phenyl-1H-isoindol-2-yl)phenyl]propanoate Traditional Name: 2-[4-(1-keto-5-phenyl-isoindolin-2-yl)phenyl]propionic acid tert-butyl ester Formula: C27H27NO3 MolecularWeight: 413.50818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO3/c1-18(26(30)31-27(2,3)4)19-10-13-23(14-11-19)28-17-22-16-21(12-15-24(22)25(28)29)20-8-6-5-7-9-20/h5-16,18H,17H2,1-4H3