3-[2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]propanoic acid

Systemtic Name: 3-[2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]propanoic acid Openeye Name: 3-[[2-[3-(4-cyanophenyl)-4,5-dihydroisoxazol-5-yl]acetyl]amino]propanoic acid CAS Name: 3-[[2-[3-(4-cyanophenyl)-4,5-dihydroisoxazol-5-yl]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoic acid Traditional Name: 3-[[2-[3-(4-cyanophenyl)-2-isoxazolin-5-yl]acetyl]amino]propionic acid Formula: C15H15N3O4 MolecularWeight: 301.2973

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CC=C(C=C2)C#N)CC(=O)NCCC(=O)O

Isomeric SMILES

C1C(ON=C1C2=CC=C(C=C2)C#N)CC(=O)NCCC(=O)O

InChI

InChI=1S/C15H15N3O4/c16-9-10-1-3-11(4-2-10)13-7-12(22-18-13)8-14(19)17-6-5-15(20)21/h1-4,12H,5-8H2,(H,17,19)(H,20,21)