3-(2-azanyl-3-butoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)benzoic acid

Systemtic Name: 3-(2-azanyl-3-butoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)benzoic acid Openeye Name: 3-(2-amino-3-butoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)benzoic acid CAS Name: 3-[2-amino-3-[butoxy(oxo)methyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid IUPAC Name: 3-(2-amino-3-butoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)benzoic acid Traditional Name: 3-(2-amino-3-butoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)benzoic acid Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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