ethyl 4-chloranyl-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 4-chloranyl-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 4-chloro-5-hydroxy-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]benzofuran-3-carboxylate CAS Name: 4-chloro-5-hydroxy-2-methyl-6-[(4-methyl-1-piperazinyl)methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-chloro-5-hydroxy-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate Traditional Name: 4-chloro-5-hydroxy-2-methyl-6-[(4-methylpiperazino)methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C18H23ClN2O4 MolecularWeight: 366.83922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)CN3CCN(CC3)C)O)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)CN3CCN(CC3)C)O)Cl)C

InChI

InChI=1S/C18H23ClN2O4/c1-4-24-18(23)14-11(2)25-13-9-12(17(22)16(19)15(13)14)10-21-7-5-20(3)6-8-21/h9,22H,4-8,10H2,1-3H3