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

Systemtic Name: (phenylmethyl) 2-azanyl-1-(4-butan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: benzyl 2-amino-1-(4-sec-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(4-butan-2-ylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-1-(4-butan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-sec-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid benzyl ester Formula: C28H26N4O2 MolecularWeight: 450.53164

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OCC5=CC=CC=C5)N

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OCC5=CC=CC=C5)N

InChI

InChI=1S/C28H26N4O2/c1-3-18(2)20-13-15-21(16-14-20)32-26(29)24(28(33)34-17-19-9-5-4-6-10-19)25-27(32)31-23-12-8-7-11-22(23)30-25/h4-16,18H,3,17,29H2,1-2H3