2-azanyl-2-[3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,2-oxazol-5-yl]propanoic acid

Systemtic Name: 2-azanyl-2-[3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,2-oxazol-5-yl]propanoic acid Openeye Name: 2-amino-2-[3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)isoxazol-5-yl]propanoic acid CAS Name: 2-amino-2-[3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-5-isoxazolyl]propanoic acid IUPAC Name: 2-amino-2-[3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,2-oxazol-5-yl]propanoic acid Traditional Name: 2-amino-2-[3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)isoxazol-5-yl]propionic acid Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=NO1)CC2C3=CC=CC=C3CCN2)(C(=O)O)N

Isomeric SMILES

CC(C1=CC(=NO1)CC2C3=CC=CC=C3CCN2)(C(=O)O)N

InChI

InChI=1S/C16H19N3O3/c1-16(17,15(20)21)14-9-11(19-22-14)8-13-12-5-3-2-4-10(12)6-7-18-13/h2-5,9,13,18H,6-8,17H2,1H3,(H,20,21)