(phenylmethyl) 2-[5-chloranyl-3-(6-oxidanylhexylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[5-chloranyl-3-(6-oxidanylhexylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[5-chloro-3-(6-hydroxyhexylamino)-2-oxo-6-phenyl-pyrazin-1-yl]acetate CAS Name: 2-[5-chloro-3-(6-hydroxyhexylamino)-2-oxo-6-phenyl-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-chloro-3-(6-hydroxyhexylamino)-2-oxo-6-phenylpyrazin-1-yl]acetate Traditional Name: 2-[5-chloro-3-(6-hydroxyhexylamino)-2-keto-6-phenyl-pyrazin-1-yl]acetic acid benzyl ester Formula: C25H28ClN3O4 MolecularWeight: 469.96052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CN2C(=C(N=C(C2=O)NCCCCCCO)Cl)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CN2C(=C(N=C(C2=O)NCCCCCCO)Cl)C3=CC=CC=C3

InChI

InChI=1S/C25H28ClN3O4/c26-23-22(20-13-7-4-8-14-20)29(17-21(31)33-18-19-11-5-3-6-12-19)25(32)24(28-23)27-15-9-1-2-10-16-30/h3-8,11-14,30H,1-2,9-10,15-18H2,(H,27,28)