ethyl 5-azanyl-4-[(2R)-2-[4-(cyanomethyl)-3-fluoranyl-phenyl]pyrrolidin-1-yl]carbonyl-pyridine-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-[(2R)-2-[4-(cyanomethyl)-3-fluoranyl-phenyl]pyrrolidin-1-yl]carbonyl-pyridine-2-carboxylate Openeye Name: ethyl 5-amino-4-[(2R)-2-[4-(cyanomethyl)-3-fluoro-phenyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylate CAS Name: 5-amino-4-[[(2R)-2-[4-(cyanomethyl)-3-fluorophenyl]-1-pyrrolidinyl]-oxomethyl]-2-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-[(2R)-2-[4-(cyanomethyl)-3-fluorophenyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylate Traditional Name: 5-amino-4-[(2R)-2-[4-(cyanomethyl)-3-fluoro-phenyl]pyrrolidine-1-carbonyl]picolinic acid ethyl ester Formula: C21H21FN4O3 MolecularWeight: 396.414843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC=C(C(=C1)C(=O)N2CCCC2C3=CC(=C(C=C3)CC#N)F)N

Isomeric SMILES

CCOC(=O)C1=NC=C(C(=C1)C(=O)N2CCC[C@@H]2C3=CC(=C(C=C3)CC#N)F)N

InChI

InChI=1S/C21H21FN4O3/c1-2-29-21(28)18-11-15(17(24)12-25-18)20(27)26-9-3-4-19(26)14-6-5-13(7-8-23)16(22)10-14/h5-6,10-12,19H,2-4,7,9,24H2,1H3/t19-/m1/s1