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

Systemtic Name: [(2S)-2-methylbutyl] 2-azanyl-1-(3-fluorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: [(2S)-2-methylbutyl] 2-amino-1-(3-fluorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(3-fluorophenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid [(2S)-2-methylbutyl] ester IUPAC Name: [(2S)-2-methylbutyl] 2-amino-1-(3-fluorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(3-fluorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid [(2S)-2-methylbutyl] ester Formula: C22H21FN4O2 MolecularWeight: 392.426143

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=CC=C4)F)N

Isomeric SMILES

CC[C@H](C)COC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=CC=C4)F)N

InChI

InChI=1S/C22H21FN4O2/c1-3-13(2)12-29-22(28)18-19-21(26-17-10-5-4-9-16(17)25-19)27(20(18)24)15-8-6-7-14(23)11-15/h4-11,13H,3,12,24H2,1-2H3/t13-/m0/s1