(phenylmethyl) 2-azanyl-1-octyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: (phenylmethyl) 2-azanyl-1-octyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: benzyl 2-amino-1-octyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-octyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-1-octylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-octyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid benzyl ester Formula: C26H30N4O2 MolecularWeight: 430.542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC4=CC=CC=C4)N

Isomeric SMILES

CCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC4=CC=CC=C4)N

InChI

InChI=1S/C26H30N4O2/c1-2-3-4-5-6-12-17-30-24(27)22(26(31)32-18-19-13-8-7-9-14-19)23-25(30)29-21-16-11-10-15-20(21)28-23/h7-11,13-16H,2-6,12,17-18,27H2,1H3