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

Systemtic Name: nonyl 2-azanyl-1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: nonyl 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 nonyl ester IUPAC Name: nonyl 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 nonyl ester Formula: C28H32N4O4 MolecularWeight: 488.57808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N4O4/c1-2-3-4-5-6-7-10-15-34-28(33)24-25-27(31-21-12-9-8-11-20(21)30-25)32(26(24)29)17-19-13-14-22-23(16-19)36-18-35-22/h8-9,11-14,16H,2-7,10,15,17-18,29H2,1H3