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

Systemtic Name: ethyl 2-azanyl-1-(4-octoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: ethyl 2-amino-1-(4-octoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(4-octoxyphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-1-(4-octoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-octoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid ethyl ester Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OCC)N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OCC)N

InChI

InChI=1S/C27H32N4O3/c1-3-5-6-7-8-11-18-34-20-16-14-19(15-17-20)31-25(28)23(27(32)33-4-2)24-26(31)30-22-13-10-9-12-21(22)29-24/h9-10,12-17H,3-8,11,18,28H2,1-2H3