[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(4-pentylphenyl)butanoate

Systemtic Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(4-pentylphenyl)butanoate Openeye Name: [1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 4-oxo-4-(4-pentylphenyl)butanoate CAS Name: 4-oxo-4-(4-pentylphenyl)butanoic acid [1-[(5-methyl-3-isoxazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-oxo-4-(4-pentylphenyl)butanoate Traditional Name: 4-(4-amylphenyl)-4-keto-butyric acid [2-keto-1-methyl-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=NOC(=C2)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=NOC(=C2)C

InChI

InChI=1S/C22H28N2O5/c1-4-5-6-7-17-8-10-18(11-9-17)19(25)12-13-21(26)28-16(3)22(27)23-20-14-15(2)29-24-20/h8-11,14,16H,4-7,12-13H2,1-3H3,(H,23,24,27)