tert-butyl (2S)-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(4-phenylazophenyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[oxo-(4-phenyldiazenylanilino)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(4-phenylazophenyl)carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H26N4O3 MolecularWeight: 394.46684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O3/c1-22(2,3)29-21(28)26-15-7-10-19(26)20(27)23-16-11-13-18(14-12-16)25-24-17-8-5-4-6-9-17/h4-6,8-9,11-14,19H,7,10,15H2,1-3H3,(H,23,27)/t19-/m0/s1