8-[(5,6-diphenylpyrazin-2-yl)-methyl-amino]octanoic acid

Systemtic Name: 8-[(5,6-diphenylpyrazin-2-yl)-methyl-amino]octanoic acid Openeye Name: 8-[(5,6-diphenylpyrazin-2-yl)-methyl-amino]octanoic acid CAS Name: 8-[(5,6-diphenyl-2-pyrazinyl)-methylamino]octanoic acid IUPAC Name: 8-[(5,6-diphenylpyrazin-2-yl)-methylamino]octanoic acid Traditional Name: 8-[(5,6-diphenylpyrazin-2-yl)-methyl-amino]caprylic acid Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCCCC(=O)O)C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CN(CCCCCCCC(=O)O)C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H29N3O2/c1-28(18-12-4-2-3-11-17-23(29)30)22-19-26-24(20-13-7-5-8-14-20)25(27-22)21-15-9-6-10-16-21/h5-10,13-16,19H,2-4,11-12,17-18H2,1H3,(H,29,30)