2-ethylbutyl 2-azanyl-1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: 2-ethylbutyl 2-azanyl-1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: 2-ethylbutyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid 2-ethylbutyl ester IUPAC Name: 2-ethylbutyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-piperonyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid 2-ethylbutyl ester Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)COC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

CCC(CC)COC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC5=C(C=C4)OCO5)N

InChI

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