3,5-dimethylpyrazol-2-ide; (2S)-4-phenylmethoxy-1-phenylmethoxycarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3,5-dimethylpyrazol-2-ide; (2S)-4-phenylmethoxy-1-phenylmethoxycarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-4-benzyloxy-1-benzyloxycarbonyl-pyrrolidine-2-carboxylic acid; 3,5-dimethylpyrazol-2-ide CAS Name: 3,5-dimethylpyrazol-2-ide; (2S)-4-phenylmethoxy-1-phenylmethoxycarbonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 3,5-dimethylpyrazol-2-ide; (2S)-4-phenylmethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid Traditional Name: (2S)-4-benzoxy-1-carbobenzoxy-proline; 3,5-dimethylpyrazol-2-ide Formula: C25H28N3O5- MolecularWeight: 450.50692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=N[N-]1)C.C1C(CN(C1C(=O)O)C(=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=N[N-]1)C.C1[C@H](N(CC1OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H21NO5.C5H7N2/c22-19(23)18-11-17(25-13-15-7-3-1-4-8-15)12-21(18)20(24)26-14-16-9-5-2-6-10-16;1-4-3-5(2)7-6-4/h1-10,17-18H,11-14H2,(H,22,23);3H,1-2H3/q;-1/t17?,18-;/m0./s1