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

Systemtic Name: (phenylmethyl) 2-azanyl-1-(4-propoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C28H24N4O4 MolecularWeight: 480.51456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24N4O4/c1-2-16-35-27(33)19-12-14-20(15-13-19)32-25(29)23(28(34)36-17-18-8-4-3-5-9-18)24-26(32)31-22-11-7-6-10-21(22)30-24/h3-15H,2,16-17,29H2,1H3