2-[5-[(phenylmethyl)carbamoyl]-3-(4-prop-2-enoxyphenyl)-4H-1,2-oxazol-5-yl]ethanoic acid

Systemtic Name: 2-[5-[(phenylmethyl)carbamoyl]-3-(4-prop-2-enoxyphenyl)-4H-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-allyloxyphenyl)-5-(benzylcarbamoyl)-4H-isoxazol-5-yl]acetic acid CAS Name: 2-[5-[oxo-[(phenylmethyl)amino]methyl]-3-(4-prop-2-enoxyphenyl)-4H-isoxazol-5-yl]acetic acid IUPAC Name: 2-[5-(benzylcarbamoyl)-3-(4-prop-2-enoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[3-(4-allyloxyphenyl)-5-(benzylcarbamoyl)-2-isoxazolin-5-yl]acetic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C2=NOC(C2)(CC(=O)O)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C=CCOC1=CC=C(C=C1)C2=NOC(C2)(CC(=O)O)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O5/c1-2-12-28-18-10-8-17(9-11-18)19-13-22(29-24-19,14-20(25)26)21(27)23-15-16-6-4-3-5-7-16/h2-11H,1,12-15H2,(H,23,27)(H,25,26)