tert-butyl 3-oxidanylidene-2-[3-(3-phenylprop-2-enoylamino)isoindol-1-ylidene]butanoate

Systemtic Name: tert-butyl 3-oxidanylidene-2-[3-(3-phenylprop-2-enoylamino)isoindol-1-ylidene]butanoate Openeye Name: tert-butyl 3-oxo-2-[3-(3-phenylprop-2-enoylamino)isoindol-1-ylidene]butanoate CAS Name: 3-oxo-2-[3-[(1-oxo-3-phenylprop-2-enyl)amino]-1-isoindolylidene]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-oxo-2-[3-(3-phenylprop-2-enoylamino)isoindol-1-ylidene]butanoate Traditional Name: 2-(3-cinnamamidoisoindol-1-ylidene)-3-keto-butyric acid tert-butyl ester Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C=CC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C=CC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H24N2O4/c1-16(28)21(24(30)31-25(2,3)4)22-18-12-8-9-13-19(18)23(27-22)26-20(29)15-14-17-10-6-5-7-11-17/h5-15H,1-4H3,(H,26,27,29)