methyl (2S,4R)-4-[(3-fluorophenyl)carbonylamino]-1-(3-phenylpropyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-[(3-fluorophenyl)carbonylamino]-1-(3-phenylpropyl)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-4-[(3-fluorobenzoyl)amino]-1-(3-phenylpropyl)pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-[[(3-fluorophenyl)-oxomethyl]amino]-1-(3-phenylpropyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-[(3-fluorobenzoyl)amino]-1-(3-phenylpropyl)pyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-[(3-fluorobenzoyl)amino]-1-(3-phenylpropyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C22H25FN2O3 MolecularWeight: 384.443903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1CCCC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](CN1CCCC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H25FN2O3/c1-28-22(27)20-14-19(24-21(26)17-10-5-11-18(23)13-17)15-25(20)12-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,13,19-20H,6,9,12,14-15H2,1H3,(H,24,26)/t19-,20+/m1/s1