ethyl 3-[[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]carbonylamino]hexanoate

Systemtic Name: ethyl 3-[[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]carbonylamino]hexanoate Openeye Name: ethyl 3-[[5-[(2,6-dimethylphenoxy)methyl]isoxazole-3-carbonyl]amino]hexanoate CAS Name: 3-[[[5-[(2,6-dimethylphenoxy)methyl]-3-isoxazolyl]-oxomethyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 3-[[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]hexanoate Traditional Name: 3-[[5-[(2,6-dimethylphenoxy)methyl]isoxazole-3-carbonyl]amino]hexanoic acid ethyl ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)OCC)NC(=O)C1=NOC(=C1)COC2=C(C=CC=C2C)C

Isomeric SMILES

CCCC(CC(=O)OCC)NC(=O)C1=NOC(=C1)COC2=C(C=CC=C2C)C

InChI

InChI=1S/C21H28N2O5/c1-5-8-16(11-19(24)26-6-2)22-21(25)18-12-17(28-23-18)13-27-20-14(3)9-7-10-15(20)4/h7,9-10,12,16H,5-6,8,11,13H2,1-4H3,(H,22,25)