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

Systemtic Name: nonyl 2-azanyl-1-(4-butoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: nonyl 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 nonyl ester IUPAC Name: nonyl 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 nonyl ester Formula: C31H38N4O4 MolecularWeight: 530.65782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38N4O4/c1-3-5-7-8-9-10-13-21-39-31(37)26-27-29(34-25-15-12-11-14-24(25)33-27)35(28(26)32)23-18-16-22(17-19-23)30(36)38-20-6-4-2/h11-12,14-19H,3-10,13,20-21,32H2,1-2H3