ethyl 4-[2-azanyl-3-[(4-ethoxyphenyl)carbamoyl]pyrrolo[3,2-b]quinoxalin-1-yl]benzoate

Systemtic Name: ethyl 4-[2-azanyl-3-[(4-ethoxyphenyl)carbamoyl]pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Openeye Name: ethyl 4-[2-amino-3-[(4-ethoxyphenyl)carbamoyl]pyrrolo[3,2-b]quinoxalin-1-yl]benzoate CAS Name: 4-[2-amino-3-[(4-ethoxyanilino)-oxomethyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-amino-3-[(4-ethoxyphenyl)carbamoyl]pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Traditional Name: 4-[2-amino-3-(p-phenetylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid ethyl ester Formula: C28H25N5O4 MolecularWeight: 495.5292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC=C(C=C5)C(=O)OCC)N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC=C(C=C5)C(=O)OCC)N

InChI

InChI=1S/C28H25N5O4/c1-3-36-20-15-11-18(12-16-20)30-27(34)23-24-26(32-22-8-6-5-7-21(22)31-24)33(25(23)29)19-13-9-17(10-14-19)28(35)37-4-2/h5-16H,3-4,29H2,1-2H3,(H,30,34)