1-adamantyl N-[4-chloranyl-3-(2-methoxyethoxy)-1-oxidanylidene-isochromen-7-yl]carbamate

Systemtic Name: 1-adamantyl N-[4-chloranyl-3-(2-methoxyethoxy)-1-oxidanylidene-isochromen-7-yl]carbamate Openeye Name: 1-adamantyl N-[4-chloro-3-(2-methoxyethoxy)-1-oxo-isochromen-7-yl]carbamate CAS Name: N-[4-chloro-3-(2-methoxyethoxy)-1-oxo-2-benzopyran-7-yl]carbamic acid 1-adamantyl ester IUPAC Name: 1-adamantyl N-[4-chloro-3-(2-methoxyethoxy)-1-oxoisochromen-7-yl]carbamate Traditional Name: N-[4-chloro-1-keto-3-(2-methoxyethoxy)isochromen-7-yl]carbamic acid 1-adamantyl ester Formula: C23H26ClNO6 MolecularWeight: 447.90864

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C2=C(C=C(C=C2)NC(=O)OC34CC5CC(C3)CC(C5)C4)C(=O)O1)Cl

Isomeric SMILES

COCCOC1=C(C2=C(C=C(C=C2)NC(=O)OC34CC5CC(C3)CC(C5)C4)C(=O)O1)Cl

InChI

InChI=1S/C23H26ClNO6/c1-28-4-5-29-21-19(24)17-3-2-16(9-18(17)20(26)30-21)25-22(27)31-23-10-13-6-14(11-23)8-15(7-13)12-23/h2-3,9,13-15H,4-8,10-12H2,1H3,(H,25,27)