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

Systemtic Name: 3-(1-adamantyl)-4-phenylmethoxy-benzoate Openeye Name: 3-(1-adamantyl)-4-benzyloxy-benzoate CAS Name: 3-(1-adamantyl)-4-phenylmethoxybenzoate IUPAC Name: 3-(1-adamantyl)-4-phenylmethoxybenzoate Traditional Name: 3-(1-adamantyl)-4-benzoxy-benzoate Formula: C24H25O3- MolecularWeight: 361.4535

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C(=O)[O-])OCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C(=O)[O-])OCC5=CC=CC=C5

InChI

InChI=1S/C24H26O3/c25-23(26)20-6-7-22(27-15-16-4-2-1-3-5-16)21(11-20)24-12-17-8-18(13-24)10-19(9-17)14-24/h1-7,11,17-19H,8-10,12-15H2,(H,25,26)/p-1