2-(4-methylpiperazin-1-yl)ethyl 2,2,4,6,7-pentamethyl-5-oxidanyl-3H-1-benzofuran-3-carboxylate

Systemtic Name: 2-(4-methylpiperazin-1-yl)ethyl 2,2,4,6,7-pentamethyl-5-oxidanyl-3H-1-benzofuran-3-carboxylate Openeye Name: 2-(4-methylpiperazin-1-yl)ethyl 5-hydroxy-2,2,4,6,7-pentamethyl-3H-benzofuran-3-carboxylate CAS Name: 5-hydroxy-2,2,4,6,7-pentamethyl-3H-benzofuran-3-carboxylic acid 2-(4-methyl-1-piperazinyl)ethyl ester IUPAC Name: 2-(4-methylpiperazin-1-yl)ethyl 5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2,2,4,6,7-pentamethyl-coumaran-3-carboxylic acid 2-(4-methylpiperazino)ethyl ester Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(C(OC2=C1C)(C)C)C(=O)OCCN3CCN(CC3)C)C)O

Isomeric SMILES

CC1=C(C(=C2C(C(OC2=C1C)(C)C)C(=O)OCCN3CCN(CC3)C)C)O

InChI

InChI=1S/C21H32N2O4/c1-13-14(2)19-16(15(3)18(13)24)17(21(4,5)27-19)20(25)26-12-11-23-9-7-22(6)8-10-23/h17,24H,7-12H2,1-6H3