ethanedioic acid; ethyl 5-[(tert-butylamino)methyl]-4-chloranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: ethanedioic acid; ethyl 5-[(tert-butylamino)methyl]-4-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-[(tert-butylamino)methyl]-4-chloro-3-methyl-benzofuran-2-carboxylate; oxalic acid CAS Name: 5-[(tert-butylamino)methyl]-4-chloro-3-methyl-2-benzofurancarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 5-[(tert-butylamino)methyl]-4-chloro-3-methyl-1-benzofuran-2-carboxylate; oxalic acid Traditional Name: 5-[(tert-butylamino)methyl]-4-chloro-3-methyl-coumarilic acid ethyl ester; oxalic acid Formula: C19H24ClNO7 MolecularWeight: 413.84936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2Cl)CNC(C)(C)C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2Cl)CNC(C)(C)C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H22ClNO3.C2H2O4/c1-6-21-16(20)15-10(2)13-12(22-15)8-7-11(14(13)18)9-19-17(3,4)5;3-1(4)2(5)6/h7-8,19H,6,9H2,1-5H3;(H,3,4)(H,5,6)