[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 4-butylbenzoate

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 4-butylbenzoate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C16H18N2O4 MolecularWeight: 302.32512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=NOC=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=NOC=C2

InChI

InChI=1S/C16H18N2O4/c1-2-3-4-12-5-7-13(8-6-12)16(20)21-11-15(19)17-14-9-10-22-18-14/h5-10H,2-4,11H2,1H3,(H,17,18,19)