(phenylmethyl) 2-[3-chloranyl-2-(4-methoxyphenyl)-6-oxidanylidene-5-(phenethylamino)pyrazin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[3-chloranyl-2-(4-methoxyphenyl)-6-oxidanylidene-5-(phenethylamino)pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[3-chloro-2-(4-methoxyphenyl)-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetate CAS Name: 2-[3-chloro-2-(4-methoxyphenyl)-6-oxo-5-(phenethylamino)-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-chloro-2-(4-methoxyphenyl)-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetate Traditional Name: 2-[5-chloro-2-keto-6-(4-methoxyphenyl)-3-(phenethylamino)pyrazin-1-yl]acetic acid benzyl ester Formula: C28H26ClN3O4 MolecularWeight: 503.97674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N=C(C(=O)N2CC(=O)OCC3=CC=CC=C3)NCCC4=CC=CC=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N=C(C(=O)N2CC(=O)OCC3=CC=CC=C3)NCCC4=CC=CC=C4)Cl

InChI

InChI=1S/C28H26ClN3O4/c1-35-23-14-12-22(13-15-23)25-26(29)31-27(30-17-16-20-8-4-2-5-9-20)28(34)32(25)18-24(33)36-19-21-10-6-3-7-11-21/h2-15H,16-19H2,1H3,(H,30,31)