[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(4-chloranylphenoxy)-2-methyl-propanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(4-chloranylphenoxy)-2-methyl-propanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-(4-chlorophenoxy)-2-methyl-propanoate CAS Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate Traditional Name: 2-(4-chlorophenoxy)-2-methyl-propionic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H27ClO4 MolecularWeight: 390.90038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCC(=O)C12CC3CC(C1)CC(C3)C2)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C(=O)OCC(=O)C12CC3CC(C1)CC(C3)C2)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H27ClO4/c1-21(2,27-18-5-3-17(23)4-6-18)20(25)26-13-19(24)22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-16H,7-13H2,1-2H3