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

Systemtic Name: tert-butyl (3S)-3-[(2S)-butan-2-yl]-4-methyl-9-oxidanylidene-1,3-dihydropyrrolo[3,4-b]quinoline-2-carboxylate Openeye Name: tert-butyl (3S)-4-methyl-3-[(1S)-1-methylpropyl]-9-oxo-1,3-dihydropyrrolo[3,4-b]quinoline-2-carboxylate CAS Name: (3S)-3-[(2S)-butan-2-yl]-4-methyl-9-oxo-1,3-dihydropyrrolo[3,4-b]quinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[(2S)-butan-2-yl]-4-methyl-9-oxo-1,3-dihydropyrrolo[3,4-b]quinoline-2-carboxylate Traditional Name: (3S)-9-keto-4-methyl-3-[(1S)-1-methylpropyl]-1,3-dihydropyrrolo[3,4-b]quinoline-2-carboxylic acid tert-butyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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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=C3N2C

Isomeric SMILES

CC[C@H](C)[C@H]1C2=C(CN1C(=O)OC(C)(C)C)C(=O)C3=CC=CC=C3N2C

InChI

InChI=1S/C21H28N2O3/c1-7-13(2)17-18-15(12-23(17)20(25)26-21(3,4)5)19(24)14-10-8-9-11-16(14)22(18)6/h8-11,13,17H,7,12H2,1-6H3/t13-,17-/m0/s1