methyl 3-(1-adamantyl)-5-methoxy-4-phenylmethoxy-benzoate

Systemtic Name: methyl 3-(1-adamantyl)-5-methoxy-4-phenylmethoxy-benzoate Openeye Name: methyl 3-(1-adamantyl)-4-benzyloxy-5-methoxy-benzoate CAS Name: 3-(1-adamantyl)-5-methoxy-4-phenylmethoxybenzoic acid methyl ester IUPAC Name: methyl 3-(1-adamantyl)-5-methoxy-4-phenylmethoxybenzoate Traditional Name: 3-(1-adamantyl)-4-benzoxy-5-methoxy-benzoic acid methyl ester Formula: C26H30O4 MolecularWeight: 406.514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4)C(=O)OC

InChI

InChI=1S/C26H30O4/c1-28-23-12-21(25(27)29-2)11-22(24(23)30-16-17-6-4-3-5-7-17)26-13-18-8-19(14-26)10-20(9-18)15-26/h3-7,11-12,18-20H,8-10,13-16H2,1-2H3