[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 7-fluoranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 7-fluoranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl] 7-fluoro-3-methyl-benzofuran-2-carboxylate CAS Name: 7-fluoro-3-methyl-2-benzofurancarboxylic acid [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 7-fluoro-3-methyl-coumarilic acid [2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C22H22FNO4 MolecularWeight: 383.412783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=C(C3=C(O2)C(=CC=C3)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=C(C3=C(O2)C(=CC=C3)F)C

InChI

InChI=1S/C22H22FNO4/c1-12(2)15-8-5-7-13(3)19(15)24-18(25)11-27-22(26)20-14(4)16-9-6-10-17(23)21(16)28-20/h5-10,12H,11H2,1-4H3,(H,24,25)