methyl (3R,4S)-4-(4-fluorophenyl)-1-pyridin-4-ylcarbonyl-pyrrolidine-3-carboxylate

Systemtic Name: methyl (3R,4S)-4-(4-fluorophenyl)-1-pyridin-4-ylcarbonyl-pyrrolidine-3-carboxylate Openeye Name: methyl (3R,4S)-4-(4-fluorophenyl)-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxylate CAS Name: (3R,4S)-4-(4-fluorophenyl)-1-[oxo(pyridin-4-yl)methyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-4-(4-fluorophenyl)-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxylate Traditional Name: (3R,4S)-4-(4-fluorophenyl)-1-isonicotinoyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C18H17FN2O3 MolecularWeight: 328.337583

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CC1C2=CC=C(C=C2)F)C(=O)C3=CC=NC=C3

Isomeric SMILES

COC(=O)[C@H]1CN(C[C@@H]1C2=CC=C(C=C2)F)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C18H17FN2O3/c1-24-18(23)16-11-21(17(22)13-6-8-20-9-7-13)10-15(16)12-2-4-14(19)5-3-12/h2-9,15-16H,10-11H2,1H3/t15-,16+/m1/s1