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

Systemtic Name: 3-[3-[3-(3-azanylpropoxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]phenyl]propanoic acid Openeye Name: 3-[3-[3-(3-aminopropoxymethyl)-4,5-dihydroisoxazol-5-yl]phenyl]propanoic acid CAS Name: 3-[3-[3-(3-aminopropoxymethyl)-4,5-dihydroisoxazol-5-yl]phenyl]propanoic acid IUPAC Name: 3-[3-[3-(3-aminopropoxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]phenyl]propanoic acid Traditional Name: 3-[3-[3-(3-aminopropoxymethyl)-2-isoxazolin-5-yl]phenyl]propionic acid Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1COCCCN)C2=CC(=CC=C2)CCC(=O)O

Isomeric SMILES

C1C(ON=C1COCCCN)C2=CC(=CC=C2)CCC(=O)O

InChI

InChI=1S/C16H22N2O4/c17-7-2-8-21-11-14-10-15(22-18-14)13-4-1-3-12(9-13)5-6-16(19)20/h1,3-4,9,15H,2,5-8,10-11,17H2,(H,19,20)