ethyl 3-[[[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[[2-(3-fluoroanilino)-2-oxo-ethyl]-methyl-amino]methyl]benzofuran-2-carboxylate CAS Name: 3-[[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[2-(3-fluoroanilino)-2-keto-ethyl]-methyl-amino]methyl]coumarilic acid ethyl ester Formula: C21H21FN2O4 MolecularWeight: 384.400843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN(C)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN(C)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H21FN2O4/c1-3-27-21(26)20-17(16-9-4-5-10-18(16)28-20)12-24(2)13-19(25)23-15-8-6-7-14(22)11-15/h4-11H,3,12-13H2,1-2H3,(H,23,25)