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

Systemtic Name: nonyl 2-azanyl-1-(4-phenylmethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: nonyl 2-amino-1-(4-benzyloxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(4-phenylmethoxyphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid nonyl ester IUPAC Name: nonyl 2-amino-1-(4-phenylmethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-benzoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid nonyl ester Formula: C33H36N4O3 MolecularWeight: 536.66394

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=C(C=C4)OCC5=CC=CC=C5)N

Isomeric SMILES

CCCCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)OCC5=CC=CC=C5)N

InChI

InChI=1S/C33H36N4O3/c1-2-3-4-5-6-7-13-22-39-33(38)29-30-32(36-28-17-12-11-16-27(28)35-30)37(31(29)34)25-18-20-26(21-19-25)40-23-24-14-9-8-10-15-24/h8-12,14-21H,2-7,13,22-23,34H2,1H3