6-chloranyl-3-ethoxycarbonyl-5-methoxy-2-methyl-7-(morpholin-4-ylmethyl)-1-benzofuran-4-olate

Systemtic Name: 6-chloranyl-3-ethoxycarbonyl-5-methoxy-2-methyl-7-(morpholin-4-ylmethyl)-1-benzofuran-4-olate Openeye Name: 6-chloro-3-ethoxycarbonyl-5-methoxy-2-methyl-7-(morpholinomethyl)benzofuran-4-olate CAS Name: 6-chloro-3-ethoxycarbonyl-5-methoxy-2-methyl-7-(4-morpholinylmethyl)-4-benzofuranolate IUPAC Name: 6-chloro-3-ethoxycarbonyl-5-methoxy-2-methyl-7-(morpholin-4-ylmethyl)-1-benzofuran-4-olate Traditional Name: 3-carbethoxy-6-chloro-5-methoxy-2-methyl-7-(morpholinomethyl)benzofuran-4-olate Formula: C18H21ClNO6- MolecularWeight: 382.81544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C(=C(C(=C12)[O-])OC)Cl)CN3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C(=C(C(=C12)[O-])OC)Cl)CN3CCOCC3)C

InChI

InChI=1S/C18H22ClNO6/c1-4-25-18(22)12-10(2)26-16-11(9-20-5-7-24-8-6-20)14(19)17(23-3)15(21)13(12)16/h21H,4-9H2,1-3H3/p-1