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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-methoxy-4-propan-2-yloxy-benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-isopropoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-propan-2-yloxybenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxy-3-methoxy-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H30O5 MolecularWeight: 386.4813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30O5/c1-14(2)28-19-5-4-18(9-20(19)26-3)22(25)27-13-21(24)23-10-15-6-16(11-23)8-17(7-15)12-23/h4-5,9,14-17H,6-8,10-13H2,1-3H3