[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 3-bromanyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 3-bromanyl-4-ethoxy-5-methoxy-benzoate Openeye Name: 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl 3-bromo-4-ethoxy-5-methoxy-benzoate CAS Name: 3-bromo-4-ethoxy-5-methoxybenzoic acid [1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-bromo-4-ethoxy-5-methoxybenzoate Traditional Name: 3-bromo-4-ethoxy-5-methoxy-benzoic acid 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl ester Formula: C18H21BrN2O6 MolecularWeight: 441.27314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=CC(=C(C(=C2)Br)OCC)OC

Isomeric SMILES

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=CC(=C(C(=C2)Br)OCC)OC

InChI

InChI=1S/C18H21BrN2O6/c1-5-13(17(22)20-15-7-10(3)27-21-15)26-18(23)11-8-12(19)16(25-6-2)14(9-11)24-4/h7-9,13H,5-6H2,1-4H3,(H,20,21,22)