[2-[1-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[1-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[1-(o-tolyl)ethylamino]-2-oxo-ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [2-keto-2-[1-(o-tolyl)ethylamino]ethyl] ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)C

Isomeric SMILES

CC1=CC=CC=C1C(C)NC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)C

InChI

InChI=1S/C21H21NO4/c1-13-8-4-5-9-16(13)15(3)22-19(23)12-25-21(24)20-14(2)17-10-6-7-11-18(17)26-20/h4-11,15H,12H2,1-3H3,(H,22,23)