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

Systemtic Name: 2-[5-chloranyl-3-(4-oxidanylbutylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[5-chloro-3-(4-hydroxybutylamino)-2-oxo-6-phenyl-pyrazin-1-yl]acetic acid CAS Name: 2-[5-chloro-3-(4-hydroxybutylamino)-2-oxo-6-phenyl-1-pyrazinyl]acetic acid IUPAC Name: 2-[5-chloro-3-(4-hydroxybutylamino)-2-oxo-6-phenylpyrazin-1-yl]acetic acid Traditional Name: 2-[5-chloro-3-(4-hydroxybutylamino)-2-keto-6-phenyl-pyrazin-1-yl]acetic acid Formula: C16H18ClN3O4 MolecularWeight: 351.78482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O4/c17-14-13(11-6-2-1-3-7-11)20(10-12(22)23)16(24)15(19-14)18-8-4-5-9-21/h1-3,6-7,21H,4-5,8-10H2,(H,18,19)(H,22,23)