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

Systemtic Name: 3-[2-azanyl-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid Openeye Name: 3-(2-amino-3-tert-butoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)benzoic acid CAS Name: 3-[2-amino-3-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid IUPAC Name: 3-[2-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid Traditional Name: 3-(2-amino-3-tert-butoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)benzoic acid Formula: C22H20N4O4 MolecularWeight: 404.4186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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