[2-[(4-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(4-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-(4-sec-butylanilino)ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [2-(4-butan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butan-2-ylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [2-keto-2-(4-sec-butylanilino)ethyl] ester Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)C

InChI

InChI=1S/C22H23NO4/c1-4-14(2)16-9-11-17(12-10-16)23-20(24)13-26-22(25)21-15(3)18-7-5-6-8-19(18)27-21/h5-12,14H,4,13H2,1-3H3,(H,23,24)