tert-butyl (3S)-3-[(2S)-butan-2-yl]-9-oxidanylidene-3,4-dihydro-1H-pyrrolo[3,4-b]quinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-[(2S)-butan-2-yl]-9-oxidanylidene-3,4-dihydro-1H-pyrrolo[3,4-b]quinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[(1S)-1-methylpropyl]-9-oxo-3,4-dihydro-1H-pyrrolo[3,4-b]quinoline-2-carboxylate CAS Name: (3S)-3-[(2S)-butan-2-yl]-9-oxo-3,4-dihydro-1H-pyrrolo[3,4-b]quinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[(2S)-butan-2-yl]-9-oxo-3,4-dihydro-1H-pyrrolo[3,4-b]quinoline-2-carboxylate Traditional Name: (3S)-9-keto-3-[(1S)-1-methylpropyl]-3,4-dihydro-1H-pyrrolo[3,4-b]quinoline-2-carboxylic acid tert-butyl ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C2=C(CN1C(=O)OC(C)(C)C)C(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC[C@H](C)[C@H]1C2=C(CN1C(=O)OC(C)(C)C)C(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H26N2O3/c1-6-12(2)17-16-14(11-22(17)19(24)25-20(3,4)5)18(23)13-9-7-8-10-15(13)21-16/h7-10,12,17H,6,11H2,1-5H3,(H,21,23)/t12-,17-/m0/s1