tert-butyl 2-[3-[(4-tert-butylphenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate

Systemtic Name: tert-butyl 2-[3-[(4-tert-butylphenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate Openeye Name: tert-butyl 2-[3-[(4-tert-butylbenzoyl)amino]isoindol-1-ylidene]-3-oxo-butanoate CAS Name: 2-[3-[[(4-tert-butylphenyl)-oxomethyl]amino]-1-isoindolylidene]-3-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(4-tert-butylbenzoyl)amino]isoindol-1-ylidene]-3-oxobutanoate Traditional Name: 2-[3-[(4-tert-butylbenzoyl)amino]isoindol-1-ylidene]-3-keto-butyric acid tert-butyl ester Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H30N2O4/c1-16(30)21(25(32)33-27(5,6)7)22-19-10-8-9-11-20(19)23(28-22)29-24(31)17-12-14-18(15-13-17)26(2,3)4/h8-15H,1-7H3,(H,28,29,31)