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

Systemtic Name: methyl (3R,4S)-1-(1-ethylpyrazol-4-yl)carbonyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylate Openeye Name: methyl (3R,4S)-1-(1-ethylpyrazole-4-carbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylate CAS Name: (3R,4S)-1-[(1-ethyl-4-pyrazolyl)-oxomethyl]-4-(4-fluorophenyl)-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-1-(1-ethylpyrazole-4-carbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylate Traditional Name: (3R,4S)-1-(1-ethylpyrazole-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:

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

Isomeric SMILES

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

InChI

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