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

Systemtic Name: (phenylmethyl) 2-azanyl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: benzyl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(3-methoxypropyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid benzyl ester Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC4=CC=CC=C4)N

Isomeric SMILES

COCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC4=CC=CC=C4)N

InChI

InChI=1S/C22H22N4O3/c1-28-13-7-12-26-20(23)18(22(27)29-14-15-8-3-2-4-9-15)19-21(26)25-17-11-6-5-10-16(17)24-19/h2-6,8-11H,7,12-14,23H2,1H3