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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-ethoxy-4-methoxy-benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-ethoxy-4-methoxy-benzoate CAS Name: 3-ethoxy-4-methoxybenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate Traditional Name: 3-ethoxy-4-methoxy-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H28O5 MolecularWeight: 372.45472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C22H28O5/c1-3-26-19-9-17(4-5-18(19)25-2)21(24)27-13-20(23)22-10-14-6-15(11-22)8-16(7-14)12-22/h4-5,9,14-16H,3,6-8,10-13H2,1-2H3