tert-butyl 2-[(2R)-1-oxidanylideneoctan-2-yl]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-[(2R)-1-oxidanylideneoctan-2-yl]pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[(1R)-1-formylheptyl]pyrrole-1-carboxylate CAS Name: 2-[(2R)-1-oxooctan-2-yl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2R)-1-oxooctan-2-yl]pyrrole-1-carboxylate Traditional Name: 2-[(1R)-1-formylheptyl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C17H27NO3 MolecularWeight: 293.40118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C=O)C1=CC=CN1C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCC[C@@H](C=O)C1=CC=CN1C(=O)OC(C)(C)C

InChI

InChI=1S/C17H27NO3/c1-5-6-7-8-10-14(13-19)15-11-9-12-18(15)16(20)21-17(2,3)4/h9,11-14H,5-8,10H2,1-4H3/t14-/m0/s1