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

Systemtic Name: hexyl 2-azanyl-1-(4-butoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: hexyl 2-amino-1-(4-butoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[4-[butoxy(oxo)methyl]phenyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid hexyl ester IUPAC Name: hexyl 2-amino-1-(4-butoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-butoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid hexyl ester Formula: C28H32N4O4 MolecularWeight: 488.57808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N4O4/c1-3-5-7-10-18-36-28(34)23-24-26(31-22-12-9-8-11-21(22)30-24)32(25(23)29)20-15-13-19(14-16-20)27(33)35-17-6-4-2/h8-9,11-16H,3-7,10,17-18,29H2,1-2H3