[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-5-(3-oxidanylidenebutyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-5-(3-oxidanylidenebutyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] 3-methyl-5-(3-oxobutyl)benzofuran-2-carboxylate CAS Name: 3-methyl-5-(3-oxobutyl)-2-benzofurancarboxylic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate Traditional Name: 5-(3-ketobutyl)-3-methyl-coumarilic acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C24H25NO5 MolecularWeight: 407.459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO5/c1-14-6-5-7-20(16(14)3)25-22(27)13-29-24(28)23-17(4)19-12-18(9-8-15(2)26)10-11-21(19)30-23/h5-7,10-12H,8-9,13H2,1-4H3,(H,25,27)