tert-butyl 2-(3-oxidanylpropyl)-3-phenyl-5-propan-2-yl-pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-(3-oxidanylpropyl)-3-phenyl-5-propan-2-yl-pyrrole-1-carboxylate Openeye Name: tert-butyl 2-(3-hydroxypropyl)-5-isopropyl-3-phenyl-pyrrole-1-carboxylate CAS Name: 2-(3-hydroxypropyl)-3-phenyl-5-propan-2-yl-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-hydroxypropyl)-3-phenyl-5-propan-2-ylpyrrole-1-carboxylate Traditional Name: 2-(3-hydroxypropyl)-5-isopropyl-3-phenyl-pyrrole-1-carboxylic acid tert-butyl ester Formula: C21H29NO3 MolecularWeight: 343.45986

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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=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO3/c1-15(2)19-14-17(16-10-7-6-8-11-16)18(12-9-13-23)22(19)20(24)25-21(3,4)5/h6-8,10-11,14-15,23H,9,12-13H2,1-5H3