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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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