2-[5-(cyclohexylcarbamoyl)-3-(3-methoxy-4-prop-2-enoxy-phenyl)-4H-1,2-oxazol-5-yl]ethanoic acid

Systemtic Name: 2-[5-(cyclohexylcarbamoyl)-3-(3-methoxy-4-prop-2-enoxy-phenyl)-4H-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-allyloxy-3-methoxy-phenyl)-5-(cyclohexylcarbamoyl)-4H-isoxazol-5-yl]acetic acid CAS Name: 2-[5-[(cyclohexylamino)-oxomethyl]-3-(3-methoxy-4-prop-2-enoxyphenyl)-4H-isoxazol-5-yl]acetic acid IUPAC Name: 2-[5-(cyclohexylcarbamoyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[3-(4-allyloxy-3-methoxy-phenyl)-5-(cyclohexylcarbamoyl)-2-isoxazolin-5-yl]acetic acid Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NOC(C2)(CC(=O)O)C(=O)NC3CCCCC3)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NOC(C2)(CC(=O)O)C(=O)NC3CCCCC3)OCC=C

InChI

InChI=1S/C22H28N2O6/c1-3-11-29-18-10-9-15(12-19(18)28-2)17-13-22(30-24-17,14-20(25)26)21(27)23-16-7-5-4-6-8-16/h3,9-10,12,16H,1,4-8,11,13-14H2,2H3,(H,23,27)(H,25,26)