methyl 3-[(3Z)-7-tert-butyl-3-[(3Z)-3-(1-cyano-2-oxidanylidene-2-phenylazanyl-ethylidene)isoindol-1-ylidene]-2-oxidanylidene-1-benzofuran-5-yl]propanoate

Systemtic Name: methyl 3-[(3Z)-7-tert-butyl-3-[(3Z)-3-(1-cyano-2-oxidanylidene-2-phenylazanyl-ethylidene)isoindol-1-ylidene]-2-oxidanylidene-1-benzofuran-5-yl]propanoate Openeye Name: methyl 3-[(3Z)-3-[(3Z)-3-(2-anilino-1-cyano-2-oxo-ethylidene)isoindolin-1-ylidene]-7-tert-butyl-2-oxo-benzofuran-5-yl]propanoate CAS Name: 3-[(3Z)-3-[(3Z)-3-(2-anilino-1-cyano-2-oxoethylidene)-1-isoindolylidene]-7-tert-butyl-2-oxo-5-benzofuranyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3Z)-3-[(3Z)-3-(2-anilino-1-cyano-2-oxoethylidene)isoindol-1-ylidene]-7-tert-butyl-2-oxo-1-benzofuran-5-yl]propanoate Traditional Name: 3-[(3Z)-3-[(3Z)-3-(2-anilino-1-cyano-2-keto-ethylidene)isoindolin-1-ylidene]-7-tert-butyl-2-keto-coumaran-5-yl]propionic acid methyl ester Formula: C33H29N3O5 MolecularWeight: 547.60046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C(=CC(=C1)CCC(=O)OC)C(=C3C4=CC=CC=C4C(=C(C#N)C(=O)NC5=CC=CC=C5)N3)C(=O)O2

Isomeric SMILES

CC(C)(C)C1=C2C(=CC(=C1)CCC(=O)OC)/C(=C/3\C4=CC=CC=C4/C(=C(\C#N)/C(=O)NC5=CC=CC=C5)/N3)/C(=O)O2

InChI

InChI=1S/C33H29N3O5/c1-33(2,3)25-17-19(14-15-26(37)40-4)16-23-27(32(39)41-30(23)25)29-22-13-9-8-12-21(22)28(36-29)24(18-34)31(38)35-20-10-6-5-7-11-20/h5-13,16-17,36H,14-15H2,1-4H3,(H,35,38)/b28-24-,29-27-