[2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate Openeye Name: [2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl] 5-methyl-3-phenyl-isoxazole-4-carboxylate CAS Name: 5-methyl-3-phenyl-4-isoxazolecarboxylic acid [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate Traditional Name: 5-methyl-3-phenyl-isoxazole-4-carboxylic acid [2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl] ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O4/c1-15-22(23(27-31-15)20-6-4-3-5-7-20)24(29)30-14-21(28)26-16(2)25-11-17-8-18(12-25)10-19(9-17)13-25/h3-7,16-19H,8-14H2,1-2H3,(H,26,28)