dimethyl 2-[[3-(4-chlorophenyl)-1-adamantyl]carbonyl]propanedioate

Systemtic Name: dimethyl 2-[[3-(4-chlorophenyl)-1-adamantyl]carbonyl]propanedioate Openeye Name: dimethyl 2-[3-(4-chlorophenyl)adamantane-1-carbonyl]propanedioate CAS Name: 2-[[3-(4-chlorophenyl)-1-adamantyl]-oxomethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[3-(4-chlorophenyl)adamantane-1-carbonyl]propanedioate Traditional Name: 2-[3-(4-chlorophenyl)adamantane-1-carbonyl]malonic acid dimethyl ester Formula: C22H25ClO5 MolecularWeight: 404.8839

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C(C(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)Cl)C(=O)OC

InChI

InChI=1S/C22H25ClO5/c1-27-19(25)17(20(26)28-2)18(24)22-10-13-7-14(11-22)9-21(8-13,12-22)15-3-5-16(23)6-4-15/h3-6,13-14,17H,7-12H2,1-2H3