methyl (3R,4S)-4-(4-fluorophenyl)-1-pyrazin-2-ylcarbonyl-pyrrolidine-3-carboxylate

Systemtic Name: methyl (3R,4S)-4-(4-fluorophenyl)-1-pyrazin-2-ylcarbonyl-pyrrolidine-3-carboxylate Openeye Name: methyl (3R,4S)-4-(4-fluorophenyl)-1-(pyrazine-2-carbonyl)pyrrolidine-3-carboxylate CAS Name: (3R,4S)-4-(4-fluorophenyl)-1-[oxo(2-pyrazinyl)methyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-4-(4-fluorophenyl)-1-(pyrazine-2-carbonyl)pyrrolidine-3-carboxylate Traditional Name: (3R,4S)-4-(4-fluorophenyl)-1-pyrazinoyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C17H16FN3O3 MolecularWeight: 329.325643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16FN3O3/c1-24-17(23)14-10-21(16(22)15-8-19-6-7-20-15)9-13(14)11-2-4-12(18)5-3-11/h2-8,13-14H,9-10H2,1H3/t13-,14+/m1/s1