4-(2-azanyl-3-butoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)benzoate

Systemtic Name: 4-(2-azanyl-3-butoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)benzoate Openeye Name: 4-(2-amino-3-butoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)benzoate CAS Name: 4-[2-amino-3-[butoxy(oxo)methyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoate IUPAC Name: 4-(2-amino-3-butoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)benzoate Traditional Name: 4-(2-amino-3-butoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)benzoate Formula: C22H19N4O4- MolecularWeight: 403.41066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)C(=O)[O-])N

Isomeric SMILES

CCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)C(=O)[O-])N

InChI

InChI=1S/C22H20N4O4/c1-2-3-12-30-22(29)17-18-20(25-16-7-5-4-6-15(16)24-18)26(19(17)23)14-10-8-13(9-11-14)21(27)28/h4-11H,2-3,12,23H2,1H3,(H,27,28)/p-1