2-azanyl-2-(3,5-dimethylpyrazol-1-yl)-4-oxidanylidene-4-phenylmethoxy-butanoic acid

Systemtic Name: 2-azanyl-2-(3,5-dimethylpyrazol-1-yl)-4-oxidanylidene-4-phenylmethoxy-butanoic acid Openeye Name: 2-amino-4-benzyloxy-2-(3,5-dimethylpyrazol-1-yl)-4-oxo-butanoic acid CAS Name: 2-amino-2-(3,5-dimethyl-1-pyrazolyl)-4-oxo-4-phenylmethoxybutanoic acid IUPAC Name: 2-amino-2-(3,5-dimethylpyrazol-1-yl)-4-oxo-4-phenylmethoxybutanoic acid Traditional Name: 2-amino-4-benzoxy-2-(3,5-dimethylpyrazol-1-yl)-4-keto-butyric acid Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(CC(=O)OCC2=CC=CC=C2)(C(=O)O)N)C

Isomeric SMILES

CC1=CC(=NN1C(CC(=O)OCC2=CC=CC=C2)(C(=O)O)N)C

InChI

InChI=1S/C16H19N3O4/c1-11-8-12(2)19(18-11)16(17,15(21)22)9-14(20)23-10-13-6-4-3-5-7-13/h3-8H,9-10,17H2,1-2H3,(H,21,22)