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

Systemtic Name: methyl (2Z)-2-[3-[(4-tert-butylphenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate Openeye Name: methyl (2Z)-2-[3-[(4-tert-butylbenzoyl)amino]isoindol-1-ylidene]-3-oxo-butanoate CAS Name: (2Z)-2-[3-[[(4-tert-butylphenyl)-oxomethyl]amino]-1-isoindolylidene]-3-oxobutanoic acid methyl ester IUPAC Name: methyl (2Z)-2-[3-[(4-tert-butylbenzoyl)amino]isoindol-1-ylidene]-3-oxobutanoate Traditional Name: (2Z)-2-[3-[(4-tert-butylbenzoyl)amino]isoindol-1-ylidene]-3-keto-butyric acid methyl ester Formula: C24H24N2O4 MolecularWeight: 404.45836

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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

Isomeric SMILES

CC(=O)/C(=C/1\C2=CC=CC=C2C(=N1)NC(=O)C3=CC=C(C=C3)C(C)(C)C)/C(=O)OC

InChI

InChI=1S/C24H24N2O4/c1-14(27)19(23(29)30-5)20-17-8-6-7-9-18(17)21(25-20)26-22(28)15-10-12-16(13-11-15)24(2,3)4/h6-13H,1-5H3,(H,25,26,28)/b20-19-