tert-butyl 2-[(4-fluoranyl-3-methyl-phenyl)methylcarbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[(4-fluoranyl-3-methyl-phenyl)methylcarbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[(4-fluoro-3-methyl-phenyl)methylcarbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[(4-fluoro-3-methylphenyl)methylamino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(4-fluoro-3-methyl-benzyl)carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H25FN2O3 MolecularWeight: 336.401103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)C2CCCN2C(=O)OC(C)(C)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)C2CCCN2C(=O)OC(C)(C)C)F

InChI

InChI=1S/C18H25FN2O3/c1-12-10-13(7-8-14(12)19)11-20-16(22)15-6-5-9-21(15)17(23)24-18(2,3)4/h7-8,10,15H,5-6,9,11H2,1-4H3,(H,20,22)