[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-methoxy-4-propan-2-yloxy-benzoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 3-methoxy-4-propan-2-yloxy-benzoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 4-isopropoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-propan-2-yloxybenzoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 3-methoxy-4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxy-3-methoxy-benzoic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C24H32O5 MolecularWeight: 400.50788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)OC(C)C(=O)C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)OC(C)C(=O)C23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C24H32O5/c1-14(2)28-20-6-5-19(10-21(20)27-4)23(26)29-15(3)22(25)24-11-16-7-17(12-24)9-18(8-16)13-24/h5-6,10,14-18H,7-9,11-13H2,1-4H3