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

Systemtic Name: ethanedioic acid; ethyl 4-chloranyl-5-[(cyclohexylamino)methyl]-3-methyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 4-chloro-5-[(cyclohexylamino)methyl]-3-methyl-benzofuran-2-carboxylate; oxalic acid CAS Name: 4-chloro-5-[(cyclohexylamino)methyl]-3-methyl-2-benzofurancarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-chloro-5-[(cyclohexylamino)methyl]-3-methyl-1-benzofuran-2-carboxylate; oxalic acid Traditional Name: 4-chloro-5-[(cyclohexylamino)methyl]-3-methyl-coumarilic acid ethyl ester; oxalic acid Formula: C21H26ClNO7 MolecularWeight: 439.88664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2Cl)CNC3CCCCC3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2Cl)CNC3CCCCC3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24ClNO3.C2H2O4/c1-3-23-19(22)18-12(2)16-15(24-18)10-9-13(17(16)20)11-21-14-7-5-4-6-8-14;3-1(4)2(5)6/h9-10,14,21H,3-8,11H2,1-2H3;(H,3,4)(H,5,6)