[2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-chloranyl-2-methoxy-benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 5-chloro-2-methoxy-benzoate CAS Name: 5-chloro-2-methoxybenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 5-chloro-2-methoxybenzoate Traditional Name: 5-chloro-2-methoxy-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C20H23ClO4 MolecularWeight: 362.84722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H23ClO4/c1-24-17-3-2-15(21)7-16(17)19(23)25-11-18(22)20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,7,12-14H,4-6,8-11H2,1H3