(phenylmethyl) 3-(1-adamantyl)-4-(2-methoxy-2-oxidanylidene-ethoxy)benzoate

Systemtic Name: (phenylmethyl) 3-(1-adamantyl)-4-(2-methoxy-2-oxidanylidene-ethoxy)benzoate Openeye Name: benzyl 3-(1-adamantyl)-4-(2-methoxy-2-oxo-ethoxy)benzoate CAS Name: 3-(1-adamantyl)-4-(2-methoxy-2-oxoethoxy)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1-adamantyl)-4-(2-methoxy-2-oxoethoxy)benzoate Traditional Name: 3-(1-adamantyl)-4-(2-keto-2-methoxy-ethoxy)benzoic acid benzyl ester Formula: C27H30O5 MolecularWeight: 434.5241

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H30O5/c1-30-25(28)17-31-24-8-7-22(26(29)32-16-18-5-3-2-4-6-18)12-23(24)27-13-19-9-20(14-27)11-21(10-19)15-27/h2-8,12,19-21H,9-11,13-17H2,1H3