[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-butoxy-3-chloranyl-5-methoxy-benzoate

Systemtic Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-butoxy-3-chloranyl-5-methoxy-benzoate Openeye Name: [2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 4-butoxy-3-chloro-5-methoxy-benzoate CAS Name: 4-butoxy-3-chloro-5-methoxybenzoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-butoxy-3-chloro-5-methoxybenzoate Traditional Name: 4-butoxy-3-chloro-5-methoxy-benzoic acid [2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester Formula: C18H21ClN2O6 MolecularWeight: 396.82214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2=NOC(=C2)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2=NOC(=C2)C)OC

InChI

InChI=1S/C18H21ClN2O6/c1-4-5-6-25-17-13(19)8-12(9-14(17)24-3)18(23)26-10-16(22)20-15-7-11(2)27-21-15/h7-9H,4-6,10H2,1-3H3,(H,20,21,22)