methyl 4-[2-azanyl-3-(3-ethoxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate

Systemtic Name: methyl 4-[2-azanyl-3-(3-ethoxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Openeye Name: methyl 4-[2-amino-3-(3-ethoxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate CAS Name: 4-[2-amino-3-[(3-ethoxypropylamino)-oxomethyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-amino-3-(3-ethoxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Traditional Name: 4-[2-amino-3-(3-ethoxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid methyl ester Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N5O4/c1-3-33-14-6-13-26-23(30)19-20-22(28-18-8-5-4-7-17(18)27-20)29(21(19)25)16-11-9-15(10-12-16)24(31)32-2/h4-5,7-12H,3,6,13-14,25H2,1-2H3,(H,26,30)