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

Systemtic Name: 2-[5-chloranyl-2-oxidanylidene-3-(3-oxidanylpropylamino)-6-phenyl-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[5-chloro-3-(3-hydroxypropylamino)-2-oxo-6-phenyl-pyrazin-1-yl]acetic acid CAS Name: 2-[5-chloro-3-(3-hydroxypropylamino)-2-oxo-6-phenyl-1-pyrazinyl]acetic acid IUPAC Name: 2-[5-chloro-3-(3-hydroxypropylamino)-2-oxo-6-phenylpyrazin-1-yl]acetic acid Traditional Name: 2-[5-chloro-3-(3-hydroxypropylamino)-2-keto-6-phenyl-pyrazin-1-yl]acetic acid Formula: C15H16ClN3O4 MolecularWeight: 337.75824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(C(=O)N2CC(=O)O)NCCCO)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(C(=O)N2CC(=O)O)NCCCO)Cl

InChI

InChI=1S/C15H16ClN3O4/c16-13-12(10-5-2-1-3-6-10)19(9-11(21)22)15(23)14(18-13)17-7-4-8-20/h1-3,5-6,20H,4,7-9H2,(H,17,18)(H,21,22)