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

Systemtic Name: octyl 2-azanyl-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C29H36N4O4 MolecularWeight: 504.62054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N4O4/c1-4-5-6-7-8-11-18-37-29(34)25-26-28(32-22-13-10-9-12-21(22)31-26)33(27(25)30)17-16-20-14-15-23(35-2)24(19-20)36-3/h9-10,12-15,19H,4-8,11,16-18,30H2,1-3H3