(3R,4S)-4-(4-fluorophenyl)-1-(1-propan-2-ylpyrazol-4-yl)carbonyl-pyrrolidine-3-carboxylic acid

Systemtic Name: (3R,4S)-4-(4-fluorophenyl)-1-(1-propan-2-ylpyrazol-4-yl)carbonyl-pyrrolidine-3-carboxylic acid Openeye Name: (3R,4S)-4-(4-fluorophenyl)-1-(1-isopropylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid CAS Name: (3R,4S)-4-(4-fluorophenyl)-1-[oxo-(1-propan-2-yl-4-pyrazolyl)methyl]-3-pyrrolidinecarboxylic acid IUPAC Name: (3R,4S)-4-(4-fluorophenyl)-1-(1-propan-2-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid Traditional Name: (3R,4S)-4-(4-fluorophenyl)-1-(1-isopropylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid Formula: C18H20FN3O3 MolecularWeight: 345.368103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C(=O)N2CC(C(C2)C(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)N1C=C(C=N1)C(=O)N2C[C@@H]([C@H](C2)C(=O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H20FN3O3/c1-11(2)22-8-13(7-20-22)17(23)21-9-15(16(10-21)18(24)25)12-3-5-14(19)6-4-12/h3-8,11,15-16H,9-10H2,1-2H3,(H,24,25)/t15-,16+/m1/s1