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

Systemtic Name: 4-[2-azanyl-3-[(phenylmethyl)carbamoyl]pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid Openeye Name: 4-[2-amino-3-(benzylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid CAS Name: 4-[2-amino-3-[oxo-[(phenylmethyl)amino]methyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid IUPAC Name: 4-[2-amino-3-(benzylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid Traditional Name: 4-[2-amino-3-(benzylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid Formula: C25H19N5O3 MolecularWeight: 437.45006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC=C(C=C5)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC=C(C=C5)C(=O)O)N

InChI

InChI=1S/C25H19N5O3/c26-22-20(24(31)27-14-15-6-2-1-3-7-15)21-23(29-19-9-5-4-8-18(19)28-21)30(22)17-12-10-16(11-13-17)25(32)33/h1-13H,14,26H2,(H,27,31)(H,32,33)