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

Systemtic Name: ethyl 5-azanyl-4-[(2R)-2-[4-(2-cyanopropan-2-yl)-3-fluoranyl-phenyl]pyrrolidin-1-yl]carbonyl-pyridine-2-carboxylate Openeye Name: ethyl 5-amino-4-[(2R)-2-[4-(1-cyano-1-methyl-ethyl)-3-fluoro-phenyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylate CAS Name: 5-amino-4-[[(2R)-2-[4-(2-cyanopropan-2-yl)-3-fluorophenyl]-1-pyrrolidinyl]-oxomethyl]-2-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-[(2R)-2-[4-(2-cyanopropan-2-yl)-3-fluorophenyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylate Traditional Name: 5-amino-4-[(2R)-2-[4-(1-cyano-1-methyl-ethyl)-3-fluoro-phenyl]pyrrolidine-1-carbonyl]picolinic acid ethyl ester Formula: C23H25FN4O3 MolecularWeight: 424.468003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN4O3/c1-4-31-22(30)19-11-15(18(26)12-27-19)21(29)28-9-5-6-20(28)14-7-8-16(17(24)10-14)23(2,3)13-25/h7-8,10-12,20H,4-6,9,26H2,1-3H3/t20-/m1/s1