(4-tert-butylphenyl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate

Systemtic Name: (4-tert-butylphenyl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate Openeye Name: (4-tert-butylphenyl)methyl 2-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-phenylpropanoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate Traditional Name: 3-phenyl-2-phthalimido-propionic acid (4-tert-butylbenzyl) ester Formula: C28H27NO4 MolecularWeight: 441.51828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C28H27NO4/c1-28(2,3)21-15-13-20(14-16-21)18-33-27(32)24(17-19-9-5-4-6-10-19)29-25(30)22-11-7-8-12-23(22)26(29)31/h4-16,24H,17-18H2,1-3H3