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

Systemtic Name: ethyl 3-[[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]carbonylamino]-5-methyl-hexanoate Openeye Name: ethyl 3-[[5-[(2,6-dimethylphenoxy)methyl]isoxazole-3-carbonyl]amino]-5-methyl-hexanoate CAS Name: 3-[[[5-[(2,6-dimethylphenoxy)methyl]-3-isoxazolyl]-oxomethyl]amino]-5-methylhexanoic acid ethyl ester IUPAC Name: ethyl 3-[[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]-5-methylhexanoate Traditional Name: 3-[[5-[(2,6-dimethylphenoxy)methyl]isoxazole-3-carbonyl]amino]-5-methyl-hexanoic acid ethyl ester Formula: C22H30N2O5 MolecularWeight: 402.484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC(C)C)NC(=O)C1=NOC(=C1)COC2=C(C=CC=C2C)C

Isomeric SMILES

CCOC(=O)CC(CC(C)C)NC(=O)C1=NOC(=C1)COC2=C(C=CC=C2C)C

InChI

InChI=1S/C22H30N2O5/c1-6-27-20(25)11-17(10-14(2)3)23-22(26)19-12-18(29-24-19)13-28-21-15(4)8-7-9-16(21)5/h7-9,12,14,17H,6,10-11,13H2,1-5H3,(H,23,26)