tert-butyl (2S)-2-[(2S)-butan-2-yl]-3-oxidanylidene-5-propyl-2H-pyrrole-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(2S)-butan-2-yl]-3-oxidanylidene-5-propyl-2H-pyrrole-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(1S)-1-methylpropyl]-3-oxo-5-propyl-2H-pyrrole-1-carboxylate CAS Name: (2S)-2-[(2S)-butan-2-yl]-3-oxo-5-propyl-2H-pyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(2S)-butan-2-yl]-3-oxo-5-propyl-2H-pyrrole-1-carboxylate Traditional Name: (2S)-3-keto-2-[(1S)-1-methylpropyl]-5-propyl-2-pyrroline-1-carboxylic acid tert-butyl ester Formula: C16H27NO3 MolecularWeight: 281.39048

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)C(N1C(=O)OC(C)(C)C)C(C)CC

Isomeric SMILES

CCCC1=CC(=O)[C@@H](N1C(=O)OC(C)(C)C)[C@@H](C)CC

InChI

InChI=1S/C16H27NO3/c1-7-9-12-10-13(18)14(11(3)8-2)17(12)15(19)20-16(4,5)6/h10-11,14H,7-9H2,1-6H3/t11-,14-/m0/s1