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

Systemtic Name: [2-[2-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[2-(3-chlorophenyl)ethylamino]-2-oxo-ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [2-[2-(3-chlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C20H18ClNO4 MolecularWeight: 371.81422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)NCCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)NCCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H18ClNO4/c1-13-16-7-2-3-8-17(16)26-19(13)20(24)25-12-18(23)22-10-9-14-5-4-6-15(21)11-14/h2-8,11H,9-10,12H2,1H3,(H,22,23)