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

Systemtic Name: tert-butyl 2-[3-[(3,4-dimethoxyphenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate Openeye Name: tert-butyl 2-[3-[(3,4-dimethoxybenzoyl)amino]isoindol-1-ylidene]-3-oxo-butanoate CAS Name: 2-[3-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-1-isoindolylidene]-3-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(3,4-dimethoxybenzoyl)amino]isoindol-1-ylidene]-3-oxobutanoate Traditional Name: 3-keto-2-[3-(veratroylamino)isoindol-1-ylidene]butyric acid tert-butyl ester Formula: C25H26N2O6 MolecularWeight: 450.48374

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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)OC)OC)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O6/c1-14(28)20(24(30)33-25(2,3)4)21-16-9-7-8-10-17(16)22(26-21)27-23(29)15-11-12-18(31-5)19(13-15)32-6/h7-13H,1-6H3,(H,26,27,29)