[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxidanylidene-propan-2-yl] 4-butoxy-3-ethoxy-benzoate

Systemtic Name: [1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxidanylidene-propan-2-yl] 4-butoxy-3-ethoxy-benzoate Openeye Name: [1-methyl-2-[(3-methylisoxazol-5-yl)amino]-2-oxo-ethyl] 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid [1-[(3-methyl-5-isoxazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid [2-keto-1-methyl-2-[(3-methylisoxazol-5-yl)amino]ethyl] ester Formula: C20H26N2O6 MolecularWeight: 390.43024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC(=NO2)C)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC(=NO2)C)OCC

InChI

InChI=1S/C20H26N2O6/c1-5-7-10-26-16-9-8-15(12-17(16)25-6-2)20(24)27-14(4)19(23)21-18-11-13(3)22-28-18/h8-9,11-12,14H,5-7,10H2,1-4H3,(H,21,23)