3-methylbutyl 2-azanyl-1-(4-ethoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: 3-methylbutyl 2-azanyl-1-(4-ethoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: isopentyl 2-amino-1-(4-ethoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(4-ethoxycarbonylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-amino-1-(4-ethoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-carbethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid isoamyl ester Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OCCC(C)C)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OCCC(C)C)N

InChI

InChI=1S/C25H26N4O4/c1-4-32-24(30)16-9-11-17(12-10-16)29-22(26)20(25(31)33-14-13-15(2)3)21-23(29)28-19-8-6-5-7-18(19)27-21/h5-12,15H,4,13-14,26H2,1-3H3