(3R,4S)-1-(1-ethylpyrazol-4-yl)carbonyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid

Systemtic Name: (3R,4S)-1-(1-ethylpyrazol-4-yl)carbonyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid Openeye Name: (3R,4S)-1-(1-ethylpyrazole-4-carbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid CAS Name: (3R,4S)-1-[(1-ethyl-4-pyrazolyl)-oxomethyl]-4-(4-fluorophenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: (3R,4S)-1-(1-ethylpyrazole-4-carbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid Traditional Name: (3R,4S)-1-(1-ethylpyrazole-4-carbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid Formula: C17H18FN3O3 MolecularWeight: 331.341523

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)N2CC(C(C2)C(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

CCN1C=C(C=N1)C(=O)N2C[C@@H]([C@H](C2)C(=O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H18FN3O3/c1-2-21-8-12(7-19-21)16(22)20-9-14(15(10-20)17(23)24)11-3-5-13(18)6-4-11/h3-8,14-15H,2,9-10H2,1H3,(H,23,24)/t14-,15+/m1/s1