3-methylbutyl 2-azanyl-1-octyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: 3-methylbutyl 2-azanyl-1-octyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: isopentyl 2-amino-1-octyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-octyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-amino-1-octylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-octyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid isoamyl ester Formula: C24H34N4O2 MolecularWeight: 410.55236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCCC(C)C)N

Isomeric SMILES

CCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCCC(C)C)N

InChI

InChI=1S/C24H34N4O2/c1-4-5-6-7-8-11-15-28-22(25)20(24(29)30-16-14-17(2)3)21-23(28)27-19-13-10-9-12-18(19)26-21/h9-10,12-13,17H,4-8,11,14-16,25H2,1-3H3