ethyl 5-[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1H-pyrazole-3-carboxylate Openeye Name: ethyl 5-[(2S)-1-benzyloxycarbonylpyrrolidin-2-yl]-1H-pyrazole-3-carboxylate CAS Name: 5-[(2S)-1-phenylmethoxycarbonyl-2-pyrrolidinyl]-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1H-pyrazole-3-carboxylate Traditional Name: 5-[(2S)-1-carbobenzoxypyrrolidin-2-yl]-1H-pyrazole-3-carboxylic acid ethyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(=C1)C2CCCN2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NNC(=C1)[C@@H]2CCCN2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O4/c1-2-24-17(22)15-11-14(19-20-15)16-9-6-10-21(16)18(23)25-12-13-7-4-3-5-8-13/h3-5,7-8,11,16H,2,6,9-10,12H2,1H3,(H,19,20)/t16-/m0/s1