[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] 3,5-dimethylbenzofuran-2-carboxylate CAS Name: 3,5-dimethyl-2-benzofurancarboxylic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1-benzofuran-2-carboxylate Traditional Name: 3,5-dimethylcoumarilic acid [2-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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