hexyl 2-azanyl-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: hexyl 2-azanyl-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: hexyl 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid hexyl ester IUPAC Name: hexyl 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-homoveratryl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid hexyl ester Formula: C27H32N4O4 MolecularWeight: 476.56738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC4=CC(=C(C=C4)OC)OC)N

Isomeric SMILES

CCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC4=CC(=C(C=C4)OC)OC)N

InChI

InChI=1S/C27H32N4O4/c1-4-5-6-9-16-35-27(32)23-24-26(30-20-11-8-7-10-19(20)29-24)31(25(23)28)15-14-18-12-13-21(33-2)22(17-18)34-3/h7-8,10-13,17H,4-6,9,14-16,28H2,1-3H3