[(2E)-2-[(1-methylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-tert-butylbenzoate

Systemtic Name: [(2E)-2-[(1-methylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-tert-butylbenzoate Openeye Name: [(2E)-2-[(1-methylindol-3-yl)methylene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [(2E)-2-[(1-methyl-3-indolyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2E)-2-[(1-methylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [(2E)-3-keto-2-[(1-methylindol-3-yl)methylene]coumaran-6-yl] ester Formula: C29H25NO4 MolecularWeight: 451.5131

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CN(C5=CC=CC=C54)C)O3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C\C4=CN(C5=CC=CC=C54)C)/O3

InChI

InChI=1S/C29H25NO4/c1-29(2,3)20-11-9-18(10-12-20)28(32)33-21-13-14-23-25(16-21)34-26(27(23)31)15-19-17-30(4)24-8-6-5-7-22(19)24/h5-17H,1-4H3/b26-15+