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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate CAS Name: 3-(ethoxymethyl)-4-methoxybenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate Traditional Name: 3-(ethoxymethyl)-4-methoxy-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H30O5 MolecularWeight: 386.4813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)OC

InChI

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