[(2S)-2-methylbutyl] 2-azanyl-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: [(2S)-2-methylbutyl] 2-azanyl-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: [(2S)-2-methylbutyl] 2-amino-1-isobutyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(2-methylpropyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid [(2S)-2-methylbutyl] ester IUPAC Name: [(2S)-2-methylbutyl] 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-isobutyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid [(2S)-2-methylbutyl] ester Formula: C20H26N4O2 MolecularWeight: 354.44604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC(C)C)N

Isomeric SMILES

CC[C@H](C)COC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC(C)C)N

InChI

InChI=1S/C20H26N4O2/c1-5-13(4)11-26-20(25)16-17-19(24(18(16)21)10-12(2)3)23-15-9-7-6-8-14(15)22-17/h6-9,12-13H,5,10-11,21H2,1-4H3/t13-/m0/s1