methyl (2S,4R)-1-[(4-fluorophenyl)methyl]-4-(quinolin-2-ylcarbonylamino)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-[(4-fluorophenyl)methyl]-4-(quinolin-2-ylcarbonylamino)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-1-[(4-fluorophenyl)methyl]-4-(quinoline-2-carbonylamino)pyrrolidine-2-carboxylate CAS Name: (2S,4R)-1-[(4-fluorophenyl)methyl]-4-[[oxo(2-quinolinyl)methyl]amino]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-[(4-fluorophenyl)methyl]-4-(quinoline-2-carbonylamino)pyrrolidine-2-carboxylate Traditional Name: (2S,4R)-1-(4-fluorobenzyl)-4-(quinaldoylamino)pyrrolidine-2-carboxylic acid methyl ester Formula: C23H22FN3O3 MolecularWeight: 407.437483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1CC2=CC=C(C=C2)F)NC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](CN1CC2=CC=C(C=C2)F)NC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H22FN3O3/c1-30-23(29)21-12-18(14-27(21)13-15-6-9-17(24)10-7-15)25-22(28)20-11-8-16-4-2-3-5-19(16)26-20/h2-11,18,21H,12-14H2,1H3,(H,25,28)/t18-,21+/m1/s1