ethyl 5-(2-adamantyliminomethyl)-4-chloranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-(2-adamantyliminomethyl)-4-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-(2-adamantyliminomethyl)-4-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-(2-adamantyliminomethyl)-4-chloro-3-methyl-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-adamantyliminomethyl)-4-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-(2-adamantyliminomethyl)-4-chloro-3-methyl-coumarilic acid ethyl ester Formula: C23H26ClNO3 MolecularWeight: 399.91044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2Cl)C=NC3C4CC5CC(C4)CC3C5)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2Cl)C=NC3C4CC5CC(C4)CC3C5)C

InChI

InChI=1S/C23H26ClNO3/c1-3-27-23(26)22-12(2)19-18(28-22)5-4-15(20(19)24)11-25-21-16-7-13-6-14(9-16)10-17(21)8-13/h4-5,11,13-14,16-17,21H,3,6-10H2,1-2H3