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

Systemtic Name: methyl 4-(1-adamantyl)-3-phenylmethoxy-benzoate Openeye Name: methyl 4-(1-adamantyl)-3-benzyloxy-benzoate CAS Name: 4-(1-adamantyl)-3-phenylmethoxybenzoic acid methyl ester IUPAC Name: methyl 4-(1-adamantyl)-3-phenylmethoxybenzoate Traditional Name: 4-(1-adamantyl)-3-benzoxy-benzoic acid methyl ester Formula: C25H28O3 MolecularWeight: 376.48802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C23CC4CC(C2)CC(C4)C3)OCC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C23CC4CC(C2)CC(C4)C3)OCC5=CC=CC=C5

InChI

InChI=1S/C25H28O3/c1-27-24(26)21-7-8-22(23(12-21)28-16-17-5-3-2-4-6-17)25-13-18-9-19(14-25)11-20(10-18)15-25/h2-8,12,18-20H,9-11,13-16H2,1H3