2-[5-chloranyl-2-oxidanylidene-3-(phenethylamino)-6-(4-phenylphenyl)pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[5-chloranyl-2-oxidanylidene-3-(phenethylamino)-6-(4-phenylphenyl)pyrazin-1-yl]ethanoic acid Openeye Name: 2-[5-chloro-2-oxo-3-(phenethylamino)-6-(4-phenylphenyl)pyrazin-1-yl]acetic acid CAS Name: 2-[5-chloro-2-oxo-3-(phenethylamino)-6-(4-phenylphenyl)-1-pyrazinyl]acetic acid IUPAC Name: 2-[5-chloro-2-oxo-3-(phenethylamino)-6-(4-phenylphenyl)pyrazin-1-yl]acetic acid Traditional Name: 2-[5-chloro-2-keto-3-(phenethylamino)-6-(4-phenylphenyl)pyrazin-1-yl]acetic acid Formula: C26H22ClN3O3 MolecularWeight: 459.92418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=C(N(C2=O)CC(=O)O)C3=CC=C(C=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=C(N(C2=O)CC(=O)O)C3=CC=C(C=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C26H22ClN3O3/c27-24-23(21-13-11-20(12-14-21)19-9-5-2-6-10-19)30(17-22(31)32)26(33)25(29-24)28-16-15-18-7-3-1-4-8-18/h1-14H,15-17H2,(H,28,29)(H,31,32)