[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-5-(3-oxidanylidenebutyl)-1-benzofuran-2-carboxylate

Systemtic Name: [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-5-(3-oxidanylidenebutyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 3-methyl-5-(3-oxobutyl)benzofuran-2-carboxylate CAS Name: 3-methyl-5-(3-oxobutyl)-2-benzofurancarboxylic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylanilino)-1-oxopropan-2-yl] 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate Traditional Name: 5-(3-ketobutyl)-3-methyl-coumarilic acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=C(C3=C(O2)C=CC(=C3)CCC(=O)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=C(C3=C(O2)C=CC(=C3)CCC(=O)C)C

InChI

InChI=1S/C25H27NO5/c1-5-18-8-11-20(12-9-18)26-24(28)17(4)30-25(29)23-16(3)21-14-19(7-6-15(2)27)10-13-22(21)31-23/h8-14,17H,5-7H2,1-4H3,(H,26,28)