nonyl 2-azanyl-1-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: nonyl 2-azanyl-1-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: nonyl 2-amino-1-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-heptyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid nonyl ester IUPAC Name: nonyl 2-amino-1-heptylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid nonyl ester Formula: C27H40N4O2 MolecularWeight: 452.6321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCCCCCC)N

Isomeric SMILES

CCCCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCCCCCC)N

InChI

InChI=1S/C27H40N4O2/c1-3-5-7-9-10-12-16-20-33-27(32)23-24-26(30-22-18-14-13-17-21(22)29-24)31(25(23)28)19-15-11-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20,28H2,1-2H3