[2-(1H-indol-3-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl] 4-tert-butylbenzoate

Systemtic Name: [2-(1H-indol-3-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl] 4-tert-butylbenzoate Openeye Name: [2-(1H-indol-3-ylmethylene)-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-(1H-indol-3-ylmethylidene)-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-(1H-indol-3-ylmethylidene)-3-oxo-1-benzofuran-6-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-(1H-indol-3-ylmethylene)-3-keto-coumaran-6-yl] ester Formula: C28H23NO4 MolecularWeight: 437.48652

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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=CNC5=CC=CC=C54)O3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CNC5=CC=CC=C54)O3

InChI

InChI=1S/C28H23NO4/c1-28(2,3)19-10-8-17(9-11-19)27(31)32-20-12-13-22-24(15-20)33-25(26(22)30)14-18-16-29-23-7-5-4-6-21(18)23/h4-16,29H,1-3H3