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

Systemtic Name: methyl (3R,4S)-4-(4-fluorophenyl)-1-(1-propan-2-ylpyrazol-4-yl)carbonyl-pyrrolidine-3-carboxylate Openeye Name: methyl (3R,4S)-4-(4-fluorophenyl)-1-(1-isopropylpyrazole-4-carbonyl)pyrrolidine-3-carboxylate CAS Name: (3R,4S)-4-(4-fluorophenyl)-1-[oxo-(1-propan-2-yl-4-pyrazolyl)methyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-4-(4-fluorophenyl)-1-(1-propan-2-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxylate Traditional Name: (3R,4S)-4-(4-fluorophenyl)-1-(1-isopropylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C19H22FN3O3 MolecularWeight: 359.394683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FN3O3/c1-12(2)23-9-14(8-21-23)18(24)22-10-16(17(11-22)19(25)26-3)13-4-6-15(20)7-5-13/h4-9,12,16-17H,10-11H2,1-3H3/t16-,17+/m1/s1