4-(2-azanyl-3-propan-2-yloxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)benzoic acid

Systemtic Name: 4-(2-azanyl-3-propan-2-yloxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)benzoic acid Openeye Name: 4-(2-amino-3-isopropoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)benzoic acid CAS Name: 4-[2-amino-3-[oxo(propan-2-yloxy)methyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid IUPAC Name: 4-(2-amino-3-propan-2-yloxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)benzoic acid Traditional Name: 4-(2-amino-3-isopropoxycarbonyl-pyrrolo[3,2-b]quinoxalin-1-yl)benzoic acid Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O4/c1-11(2)29-21(28)16-17-19(24-15-6-4-3-5-14(15)23-17)25(18(16)22)13-9-7-12(8-10-13)20(26)27/h3-11H,22H2,1-2H3,(H,26,27)