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

Systemtic Name: nonyl 2-azanyl-1-[(4-methylphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: nonyl 2-amino-1-(p-tolylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[(4-methylphenyl)methyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid nonyl ester IUPAC Name: nonyl 2-amino-1-[(4-methylphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-methylbenzyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid nonyl ester Formula: C28H34N4O2 MolecularWeight: 458.59516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=C(C=C4)C)N

Isomeric SMILES

CCCCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=C(C=C4)C)N

InChI

InChI=1S/C28H34N4O2/c1-3-4-5-6-7-8-11-18-34-28(33)24-25-27(31-23-13-10-9-12-22(23)30-25)32(26(24)29)19-21-16-14-20(2)15-17-21/h9-10,12-17H,3-8,11,18-19,29H2,1-2H3