8-[(4,5-diphenylpyrimidin-2-yl)amino]octanoic acid

Systemtic Name: 8-[(4,5-diphenylpyrimidin-2-yl)amino]octanoic acid Openeye Name: 8-[(4,5-diphenylpyrimidin-2-yl)amino]octanoic acid CAS Name: 8-[(4,5-diphenyl-2-pyrimidinyl)amino]octanoic acid IUPAC Name: 8-[(4,5-diphenylpyrimidin-2-yl)amino]octanoic acid Traditional Name: 8-[(4,5-diphenylpyrimidin-2-yl)amino]caprylic acid Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=CC=C3)NCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=CC=C3)NCCCCCCCC(=O)O

InChI

InChI=1S/C24H27N3O2/c28-22(29)16-10-2-1-3-11-17-25-24-26-18-21(19-12-6-4-7-13-19)23(27-24)20-14-8-5-9-15-20/h4-9,12-15,18H,1-3,10-11,16-17H2,(H,28,29)(H,25,26,27)