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

Systemtic Name: 3-[2-azanyl-3-(butylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid Openeye Name: 3-[2-amino-3-(butylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid CAS Name: 3-[2-amino-3-[butylamino(oxo)methyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid IUPAC Name: 3-[2-amino-3-(butylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid Traditional Name: 3-[2-amino-3-(butylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O3/c1-2-3-11-24-21(28)17-18-20(26-16-10-5-4-9-15(16)25-18)27(19(17)23)14-8-6-7-13(12-14)22(29)30/h4-10,12H,2-3,11,23H2,1H3,(H,24,28)(H,29,30)