(E)-7-[6-(1,3-dioxan-2-yl)naphthalen-2-yl]-7-pyridin-3-yl-hept-6-enoic acid

Systemtic Name: (E)-7-[6-(1,3-dioxan-2-yl)naphthalen-2-yl]-7-pyridin-3-yl-hept-6-enoic acid Openeye Name: (E)-7-[6-(1,3-dioxan-2-yl)-2-naphthyl]-7-(3-pyridyl)hept-6-enoic acid CAS Name: (E)-7-[6-(1,3-dioxan-2-yl)-2-naphthalenyl]-7-(3-pyridinyl)-6-heptenoic acid IUPAC Name: (E)-7-[6-(1,3-dioxan-2-yl)naphthalen-2-yl]-7-pyridin-3-ylhept-6-enoic acid Traditional Name: (E)-7-[6-(1,3-dioxan-2-yl)-2-naphthyl]-7-(3-pyridyl)hept-6-enoic acid Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(OC1)C2=CC3=C(C=C2)C=C(C=C3)C(=CCCCCC(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1COC(OC1)C2=CC3=C(C=C2)C=C(C=C3)/C(=C\CCCCC(=O)O)/C4=CN=CC=C4

InChI

InChI=1S/C26H27NO4/c28-25(29)8-3-1-2-7-24(23-6-4-13-27-18-23)21-11-9-20-17-22(12-10-19(20)16-21)26-30-14-5-15-31-26/h4,6-7,9-13,16-18,26H,1-3,5,8,14-15H2,(H,28,29)/b24-7+