[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H29BrO5 MolecularWeight: 465.37736

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C23H29BrO5/c1-3-4-28-21-18(24)8-17(9-19(21)27-2)22(26)29-13-20(25)23-10-14-5-15(11-23)7-16(6-14)12-23/h8-9,14-16H,3-7,10-13H2,1-2H3