2-[5-chloranyl-3-(octan-3-ylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[5-chloranyl-3-(octan-3-ylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[5-chloro-3-(1-ethylhexylamino)-2-oxo-6-phenyl-pyrazin-1-yl]acetic acid CAS Name: 2-[5-chloro-3-(octan-3-ylamino)-2-oxo-6-phenyl-1-pyrazinyl]acetic acid IUPAC Name: 2-[5-chloro-3-(octan-3-ylamino)-2-oxo-6-phenylpyrazin-1-yl]acetic acid Traditional Name: 2-[5-chloro-3-(1-ethylhexylamino)-2-keto-6-phenyl-pyrazin-1-yl]acetic acid Formula: C20H26ClN3O3 MolecularWeight: 391.89174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC1=NC(=C(N(C1=O)CC(=O)O)C2=CC=CC=C2)Cl

Isomeric SMILES

CCCCCC(CC)NC1=NC(=C(N(C1=O)CC(=O)O)C2=CC=CC=C2)Cl

InChI

InChI=1S/C20H26ClN3O3/c1-3-5-7-12-15(4-2)22-19-20(27)24(13-16(25)26)17(18(21)23-19)14-10-8-6-9-11-14/h6,8-11,15H,3-5,7,12-13H2,1-2H3,(H,22,23)(H,25,26)