(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-phenylpropanoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate Traditional Name: 3-phenyl-2-phthalimido-propionic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C30H31NO4 MolecularWeight: 469.57144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)C)C(C)(C)C

InChI

InChI=1S/C30H31NO4/c1-19-15-22(30(3,4)5)16-20(2)25(19)18-35-29(34)26(17-21-11-7-6-8-12-21)31-27(32)23-13-9-10-14-24(23)28(31)33/h6-16,26H,17-18H2,1-5H3