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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-benzoate Openeye Name: [2-(1-adamantylamino)-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-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-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-adamantylamino)-2-keto-ethyl] ester Formula: C26H32N2O6 MolecularWeight: 468.54208

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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)NC34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C26H32N2O6/c1-15-21(16(2)34-28-15)13-32-22-5-4-20(9-23(22)31-3)25(30)33-14-24(29)27-26-10-17-6-18(11-26)8-19(7-17)12-26/h4-5,9,17-19H,6-8,10-14H2,1-3H3,(H,27,29)