[2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[benzyl(ethyl)amino]-2-oxo-ethyl] 5-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-chloro-3-methyl-2-benzofurancarboxylic acid [2-[ethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(ethyl)amino]-2-oxoethyl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3-methyl-coumarilic acid [2-[benzyl(ethyl)amino]-2-keto-ethyl] ester Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO4/c1-3-23(12-15-7-5-4-6-8-15)19(24)13-26-21(25)20-14(2)17-11-16(22)9-10-18(17)27-20/h4-11H,3,12-13H2,1-2H3