pentyl 2-azanyl-1-(4-propoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: pentyl 2-azanyl-1-(4-propoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: pentyl 2-amino-1-(4-propoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[4-[oxo(propoxy)methyl]phenyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid pentyl ester IUPAC Name: pentyl 2-amino-1-(4-propoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-propoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid amyl ester Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)C(=O)OCCC)N

Isomeric SMILES

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)C(=O)OCCC)N

InChI

InChI=1S/C26H28N4O4/c1-3-5-8-16-34-26(32)21-22-24(29-20-10-7-6-9-19(20)28-22)30(23(21)27)18-13-11-17(12-14-18)25(31)33-15-4-2/h6-7,9-14H,3-5,8,15-16,27H2,1-2H3