tert-butyl (2S)-2-[[2-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[2-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[2-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[2-(1-imidazolylmethyl)phenyl]methylamino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[2-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[2-(imidazol-1-ylmethyl)benzyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NCC2=CC=CC=C2CN3C=CN=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC2=CC=CC=C2CN3C=CN=C3

InChI

InChI=1S/C21H28N4O3/c1-21(2,3)28-20(27)25-11-6-9-18(25)19(26)23-13-16-7-4-5-8-17(16)14-24-12-10-22-15-24/h4-5,7-8,10,12,15,18H,6,9,11,13-14H2,1-3H3,(H,23,26)/t18-/m0/s1