methyl (2S,4R)-4-[(4-fluorophenyl)carbonylamino]-1-(phenylmethyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-[(4-fluorophenyl)carbonylamino]-1-(phenylmethyl)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-1-benzyl-4-[(4-fluorobenzoyl)amino]pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-[[(4-fluorophenyl)-oxomethyl]amino]-1-(phenylmethyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-benzyl-4-[(4-fluorobenzoyl)amino]pyrrolidine-2-carboxylate Traditional Name: (2S,4R)-1-benzyl-4-[(4-fluorobenzoyl)amino]pyrrolidine-2-carboxylic acid methyl ester Formula: C20H21FN2O3 MolecularWeight: 356.390743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O3/c1-26-20(25)18-11-17(13-23(18)12-14-5-3-2-4-6-14)22-19(24)15-7-9-16(21)10-8-15/h2-10,17-18H,11-13H2,1H3,(H,22,24)/t17-,18+/m1/s1