tert-butyl 3-[4-(1,3-benzodioxol-5-yl)-4-oxidanyl-butyl]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 3-[4-(1,3-benzodioxol-5-yl)-4-oxidanyl-butyl]pyrrole-1-carboxylate Openeye Name: tert-butyl 3-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-butyl]pyrrole-1-carboxylate CAS Name: 3-[4-(1,3-benzodioxol-5-yl)-4-hydroxybutyl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(1,3-benzodioxol-5-yl)-4-hydroxybutyl]pyrrole-1-carboxylate Traditional Name: 3-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-butyl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC(=C1)CCCC(C2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC(=C1)CCCC(C2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C20H25NO5/c1-20(2,3)26-19(23)21-10-9-14(12-21)5-4-6-16(22)15-7-8-17-18(11-15)25-13-24-17/h7-12,16,22H,4-6,13H2,1-3H3