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

Systemtic Name: 8-[[4-[4-(methoxymethyl)-6-phenyl-1,3-dioxan-2-yl]phenyl]amino]-8-oxidanylidene-octanoic acid Openeye Name: 8-[4-[4-(methoxymethyl)-6-phenyl-1,3-dioxan-2-yl]anilino]-8-oxo-octanoic acid CAS Name: 8-[4-[4-(methoxymethyl)-6-phenyl-1,3-dioxan-2-yl]anilino]-8-oxooctanoic acid IUPAC Name: 8-[4-[4-(methoxymethyl)-6-phenyl-1,3-dioxan-2-yl]anilino]-8-oxooctanoic acid Traditional Name: 8-keto-8-[4-[4-(methoxymethyl)-6-phenyl-1,3-dioxan-2-yl]anilino]caprylic acid Formula: C26H33NO6 MolecularWeight: 455.54332

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CC(OC(O1)C2=CC=C(C=C2)NC(=O)CCCCCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

COCC1CC(OC(O1)C2=CC=C(C=C2)NC(=O)CCCCCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C26H33NO6/c1-31-18-22-17-23(19-9-5-4-6-10-19)33-26(32-22)20-13-15-21(16-14-20)27-24(28)11-7-2-3-8-12-25(29)30/h4-6,9-10,13-16,22-23,26H,2-3,7-8,11-12,17-18H2,1H3,(H,27,28)(H,29,30)