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

Systemtic Name: nonyl 2-azanyl-1-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: nonyl 2-amino-1-(m-tolyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(3-methylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid nonyl ester IUPAC Name: nonyl 2-amino-1-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(m-tolyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid nonyl ester Formula: C27H32N4O2 MolecularWeight: 444.56858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O2/c1-3-4-5-6-7-8-11-17-33-27(32)23-24-26(30-22-16-10-9-15-21(22)29-24)31(25(23)28)20-14-12-13-19(2)18-20/h9-10,12-16,18H,3-8,11,17,28H2,1-2H3