2-[5-(cycloheptylcarbamoyl)-3-(3,4-dimethoxyphenyl)-4H-1,2-oxazol-5-yl]ethanoic acid

Systemtic Name: 2-[5-(cycloheptylcarbamoyl)-3-(3,4-dimethoxyphenyl)-4H-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[5-(cycloheptylcarbamoyl)-3-(3,4-dimethoxyphenyl)-4H-isoxazol-5-yl]acetic acid CAS Name: 2-[5-[(cycloheptylamino)-oxomethyl]-3-(3,4-dimethoxyphenyl)-4H-isoxazol-5-yl]acetic acid IUPAC Name: 2-[5-(cycloheptylcarbamoyl)-3-(3,4-dimethoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[5-(cycloheptylcarbamoyl)-3-(3,4-dimethoxyphenyl)-2-isoxazolin-5-yl]acetic acid Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(C2)(CC(=O)O)C(=O)NC3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(C2)(CC(=O)O)C(=O)NC3CCCCCC3)OC

InChI

InChI=1S/C21H28N2O6/c1-27-17-10-9-14(11-18(17)28-2)16-12-21(29-23-16,13-19(24)25)20(26)22-15-7-5-3-4-6-8-15/h9-11,15H,3-8,12-13H2,1-2H3,(H,22,26)(H,24,25)