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

Systemtic Name: nonyl 2-azanyl-1-(4-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: nonyl 2-amino-1-(4-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(4-butylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid nonyl ester IUPAC Name: nonyl 2-amino-1-(4-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid nonyl ester Formula: C30H38N4O2 MolecularWeight: 486.64832

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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)CCCC)N

Isomeric SMILES

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

InChI

InChI=1S/C30H38N4O2/c1-3-5-7-8-9-10-13-21-36-30(35)26-27-29(33-25-16-12-11-15-24(25)32-27)34(28(26)31)23-19-17-22(18-20-23)14-6-4-2/h11-12,15-20H,3-10,13-14,21,31H2,1-2H3