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

Systemtic Name: nonyl 2-azanyl-1-(4-propan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: nonyl 2-amino-1-(4-isopropylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(4-propan-2-ylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid nonyl ester IUPAC Name: nonyl 2-amino-1-(4-propan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-p-cumenyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid nonyl ester Formula: C29H36N4O2 MolecularWeight: 472.62174

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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(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C29H36N4O2/c1-4-5-6-7-8-9-12-19-35-29(34)25-26-28(32-24-14-11-10-13-23(24)31-26)33(27(25)30)22-17-15-21(16-18-22)20(2)3/h10-11,13-18,20H,4-9,12,19,30H2,1-3H3