[4-[2-(1-adamantyl)ethanoyl]phenyl] 2-(4-chloranylphenoxy)-2-methyl-propanoate

Systemtic Name: [4-[2-(1-adamantyl)ethanoyl]phenyl] 2-(4-chloranylphenoxy)-2-methyl-propanoate Openeye Name: [4-[2-(1-adamantyl)acetyl]phenyl] 2-(4-chlorophenoxy)-2-methyl-propanoate CAS Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid [4-[2-(1-adamantyl)-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-(1-adamantyl)acetyl]phenyl] 2-(4-chlorophenoxy)-2-methylpropanoate Traditional Name: 2-(4-chlorophenoxy)-2-methyl-propionic acid [4-[2-(1-adamantyl)acetyl]phenyl] ester Formula: C28H31ClO4 MolecularWeight: 466.99634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC1=CC=C(C=C1)C(=O)CC23CC4CC(C2)CC(C4)C3)OC5=CC=C(C=C5)Cl

Isomeric SMILES

CC(C)(C(=O)OC1=CC=C(C=C1)C(=O)CC23CC4CC(C2)CC(C4)C3)OC5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H31ClO4/c1-27(2,33-24-9-5-22(29)6-10-24)26(31)32-23-7-3-21(4-8-23)25(30)17-28-14-18-11-19(15-28)13-20(12-18)16-28/h3-10,18-20H,11-17H2,1-2H3