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

Systemtic Name: ethyl 5-[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1H-pyrazole-3-carboxylate hydrochloride Openeye Name: ethyl 5-[(2S)-1-benzyloxycarbonylpyrrolidin-2-yl]-1H-pyrazole-3-carboxylate hydrochloride CAS Name: 5-[(2S)-1-phenylmethoxycarbonyl-2-pyrrolidinyl]-1H-pyrazole-3-carboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 5-[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]-1H-pyrazole-3-carboxylate hydrochloride Traditional Name: 5-[(2S)-1-carbobenzoxypyrrolidin-2-yl]-1H-pyrazole-3-carboxylic acid ethyl ester hydrochloride Formula: C18H22ClN3O4 MolecularWeight: 379.83798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4.ClH/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);1H/t16-;/m0./s1