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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-[(3,5-dimethylisoxazol-4-yl)methoxy]-3-methoxy-benzoate CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)methoxy]-3-methoxybenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate Traditional Name: 4-[(3,5-dimethylisoxazol-4-yl)methoxy]-3-methoxy-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C26H31NO6 MolecularWeight: 453.52744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO6/c1-15-21(16(2)33-27-15)13-31-22-5-4-20(9-23(22)30-3)25(29)32-14-24(28)26-10-17-6-18(11-26)8-19(7-17)12-26/h4-5,9,17-19H,6-8,10-14H2,1-3H3