8-oxidanylidene-8-[[4-[4-phenyl-6-(pyridin-4-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]amino]octanoic acid

Systemtic Name: 8-oxidanylidene-8-[[4-[4-phenyl-6-(pyridin-4-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]amino]octanoic acid Openeye Name: 8-oxo-8-[4-[4-phenyl-6-(4-pyridylsulfanylmethyl)-1,3-dioxan-2-yl]anilino]octanoic acid CAS Name: 8-oxo-8-[4-[4-phenyl-6-[(pyridin-4-ylthio)methyl]-1,3-dioxan-2-yl]anilino]octanoic acid IUPAC Name: 8-oxo-8-[4-[4-phenyl-6-(pyridin-4-ylsulfanylmethyl)-1,3-dioxan-2-yl]anilino]octanoic acid Traditional Name: 8-keto-8-[4-[4-phenyl-6-[(4-pyridylthio)methyl]-1,3-dioxan-2-yl]anilino]caprylic acid Formula: C30H34N2O5S MolecularWeight: 534.66636

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(OC1C2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)O)CSC4=CC=NC=C4

Isomeric SMILES

C1C(OC(OC1C2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)O)CSC4=CC=NC=C4

InChI

InChI=1S/C30H34N2O5S/c33-28(10-6-1-2-7-11-29(34)35)32-24-14-12-23(13-15-24)30-36-25(21-38-26-16-18-31-19-17-26)20-27(37-30)22-8-4-3-5-9-22/h3-5,8-9,12-19,25,27,30H,1-2,6-7,10-11,20-21H2,(H,32,33)(H,34,35)