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

Systemtic Name: tert-butyl 2-[4-(3-oxidanylidene-6-pyridin-3-yl-1H-isoindol-2-yl)phenyl]propanoate Openeye Name: tert-butyl 2-[4-[1-oxo-5-(3-pyridyl)isoindolin-2-yl]phenyl]propanoate CAS Name: 2-[4-[3-oxo-6-(3-pyridinyl)-1H-isoindol-2-yl]phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(3-oxo-6-pyridin-3-yl-1H-isoindol-2-yl)phenyl]propanoate Traditional Name: 2-[4-[1-keto-5-(3-pyridyl)isoindolin-2-yl]phenyl]propionic acid tert-butyl ester Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O3/c1-17(25(30)31-26(2,3)4)18-7-10-22(11-8-18)28-16-21-14-19(9-12-23(21)24(28)29)20-6-5-13-27-15-20/h5-15,17H,16H2,1-4H3