[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoate CAS Name: 3-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate Traditional Name: 3-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H29NO5/c1-15-22(16(2)31-26-15)13-29-21-5-3-4-20(9-21)24(28)30-14-23(27)25-10-17-6-18(11-25)8-19(7-17)12-25/h3-5,9,17-19H,6-8,10-14H2,1-2H3