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

Systemtic Name: nonyl 2-azanyl-1-(4-phenoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: nonyl 2-amino-1-(4-phenoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(4-phenoxyphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid nonyl ester IUPAC Name: nonyl 2-amino-1-(4-phenoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-phenoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid nonyl ester Formula: C32H34N4O3 MolecularWeight: 522.63736

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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)OC5=CC=CC=C5)N

Isomeric SMILES

CCCCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)OC5=CC=CC=C5)N

InChI

InChI=1S/C32H34N4O3/c1-2-3-4-5-6-7-13-22-38-32(37)28-29-31(35-27-17-12-11-16-26(27)34-29)36(30(28)33)23-18-20-25(21-19-23)39-24-14-9-8-10-15-24/h8-12,14-21H,2-7,13,22,33H2,1H3