nonyl 2-azanyl-1-[4-(trifluoromethyloxy)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: nonyl 2-azanyl-1-[4-(trifluoromethyloxy)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: nonyl 2-amino-1-[4-(trifluoromethoxy)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[4-(trifluoromethoxy)phenyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid nonyl ester IUPAC Name: nonyl 2-amino-1-[4-(trifluoromethoxy)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-[4-(trifluoromethoxy)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylic acid nonyl ester Formula: C27H29F3N4O3 MolecularWeight: 514.53937

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)OC(F)(F)F)N

Isomeric SMILES

CCCCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)OC(F)(F)F)N

InChI

InChI=1S/C27H29F3N4O3/c1-2-3-4-5-6-7-10-17-36-26(35)22-23-25(33-21-12-9-8-11-20(21)32-23)34(24(22)31)18-13-15-19(16-14-18)37-27(28,29)30/h8-9,11-16H,2-7,10,17,31H2,1H3