tert-butyl 2-(3-oxidanylpropyl)-5-propan-2-yl-3-[2-(pyrrolidin-1-yldiazenyl)phenyl]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-(3-oxidanylpropyl)-5-propan-2-yl-3-[2-(pyrrolidin-1-yldiazenyl)phenyl]pyrrole-1-carboxylate Openeye Name: tert-butyl 2-(3-hydroxypropyl)-5-isopropyl-3-(2-pyrrolidin-1-ylazophenyl)pyrrole-1-carboxylate CAS Name: 2-(3-hydroxypropyl)-5-propan-2-yl-3-[2-(1-pyrrolidinylazo)phenyl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-hydroxypropyl)-5-propan-2-yl-3-[2-(pyrrolidin-1-yldiazenyl)phenyl]pyrrole-1-carboxylate Traditional Name: 2-(3-hydroxypropyl)-5-isopropyl-3-(2-pyrrolidinoazophenyl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C25H36N4O3 MolecularWeight: 440.57834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(N1C(=O)OC(C)(C)C)CCCO)C2=CC=CC=C2N=NN3CCCC3

Isomeric SMILES

CC(C)C1=CC(=C(N1C(=O)OC(C)(C)C)CCCO)C2=CC=CC=C2N=NN3CCCC3

InChI

InChI=1S/C25H36N4O3/c1-18(2)23-17-20(22(13-10-16-30)29(23)24(31)32-25(3,4)5)19-11-6-7-12-21(19)26-27-28-14-8-9-15-28/h6-7,11-12,17-18,30H,8-10,13-16H2,1-5H3