[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 3-(3,5-dimethylisoxazol-4-yl)propanoate CAS Name: 3-(3,5-dimethyl-4-isoxazolyl)propanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate Traditional Name: 3-(3,5-dimethylisoxazol-4-yl)propionic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCC(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C(=NO1)C)CCC(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H30N2O4/c1-13-18(14(2)27-23-13)3-4-20(25)26-11-19(24)22-12-21-8-15-5-16(9-21)7-17(6-15)10-21/h15-17H,3-12H2,1-2H3,(H,22,24)