tert-butyl (2S,5R)-2-butyl-5-heptyl-2,5-dihydropyrrole-1-carboxylate

Systemtic Name: tert-butyl (2S,5R)-2-butyl-5-heptyl-2,5-dihydropyrrole-1-carboxylate Openeye Name: tert-butyl (2S,5R)-2-butyl-5-heptyl-2,5-dihydropyrrole-1-carboxylate CAS Name: (2S,5R)-2-butyl-5-heptyl-2,5-dihydropyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,5R)-2-butyl-5-heptyl-2,5-dihydropyrrole-1-carboxylate Traditional Name: (2S,5R)-2-butyl-5-heptyl-3-pyrroline-1-carboxylic acid tert-butyl ester Formula: C20H37NO2 MolecularWeight: 323.51328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C=CC(N1C(=O)OC(C)(C)C)CCCC

Isomeric SMILES

CCCCCCC[C@@H]1C=C[C@@H](N1C(=O)OC(C)(C)C)CCCC

InChI

InChI=1S/C20H37NO2/c1-6-8-10-11-12-14-18-16-15-17(13-9-7-2)21(18)19(22)23-20(3,4)5/h15-18H,6-14H2,1-5H3/t17-,18+/m0/s1