[(2S)-2-methylbutyl] 2-azanyl-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: [(2S)-2-methylbutyl] 2-azanyl-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: [(2S)-2-methylbutyl] 2-amino-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(2,5-dimethylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid [(2S)-2-methylbutyl] ester IUPAC Name: [(2S)-2-methylbutyl] 2-amino-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid [(2S)-2-methylbutyl] ester Formula: C24H26N4O2 MolecularWeight: 402.48884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O2/c1-5-14(2)13-30-24(29)20-21-23(27-18-9-7-6-8-17(18)26-21)28(22(20)25)19-12-15(3)10-11-16(19)4/h6-12,14H,5,13,25H2,1-4H3/t14-/m0/s1