octyl 2-azanyl-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: octyl 2-azanyl-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: octyl 2-amino-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(3,5-dimethylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid octyl ester IUPAC Name: octyl 2-amino-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid octyl ester Formula: C27H32N4O2 MolecularWeight: 444.56858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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