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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1COCCCN)C(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1C(ON=C1COCCCN)C(CC2=CC=CC=C2)C(=O)O

InChI

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