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

Systemtic Name: 3-[2-azanyl-3-(2-methoxyethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid Openeye Name: 3-[2-amino-3-(2-methoxyethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid CAS Name: 3-[2-amino-3-[(2-methoxyethylamino)-oxomethyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid IUPAC Name: 3-[2-amino-3-(2-methoxyethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid Traditional Name: 3-[2-amino-3-(2-methoxyethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid Formula: C21H19N5O4 MolecularWeight: 405.40666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O4/c1-30-10-9-23-20(27)16-17-19(25-15-8-3-2-7-14(15)24-17)26(18(16)22)13-6-4-5-12(11-13)21(28)29/h2-8,11H,9-10,22H2,1H3,(H,23,27)(H,28,29)