methyl (3R,4S)-1-(1,5-dimethylpyrazol-4-yl)carbonyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylate

Systemtic Name: methyl (3R,4S)-1-(1,5-dimethylpyrazol-4-yl)carbonyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylate Openeye Name: methyl (3R,4S)-1-(1,5-dimethylpyrazole-4-carbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylate CAS Name: (3R,4S)-1-[(1,5-dimethyl-4-pyrazolyl)-oxomethyl]-4-(4-fluorophenyl)-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-1-(1,5-dimethylpyrazole-4-carbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylate Traditional Name: (3R,4S)-1-(1,5-dimethylpyrazole-4-carbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C18H20FN3O3 MolecularWeight: 345.368103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C(=O)N2CC(C(C2)C(=O)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=NN1C)C(=O)N2C[C@@H]([C@H](C2)C(=O)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H20FN3O3/c1-11-14(8-20-21(11)2)17(23)22-9-15(16(10-22)18(24)25-3)12-4-6-13(19)7-5-12/h4-8,15-16H,9-10H2,1-3H3/t15-,16+/m1/s1