(E)-4-[3-[8-(4-methoxyphenyl)octoxy]-6-methyl-pyridin-2-yl]but-3-enoic acid

Systemtic Name: (E)-4-[3-[8-(4-methoxyphenyl)octoxy]-6-methyl-pyridin-2-yl]but-3-enoic acid Openeye Name: (E)-4-[3-[8-(4-methoxyphenyl)octoxy]-6-methyl-2-pyridyl]but-3-enoic acid CAS Name: (E)-4-[3-[8-(4-methoxyphenyl)octoxy]-6-methyl-2-pyridinyl]-3-butenoic acid IUPAC Name: (E)-4-[3-[8-(4-methoxyphenyl)octoxy]-6-methylpyridin-2-yl]but-3-enoic acid Traditional Name: (E)-4-[3-[8-(4-methoxyphenyl)octoxy]-6-methyl-2-pyridyl]but-3-enoic acid Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)OCCCCCCCCC2=CC=C(C=C2)OC)C=CCC(=O)O

Isomeric SMILES

CC1=NC(=C(C=C1)OCCCCCCCCC2=CC=C(C=C2)OC)/C=C/CC(=O)O

InChI

InChI=1S/C25H33NO4/c1-20-13-18-24(23(26-20)11-9-12-25(27)28)30-19-8-6-4-3-5-7-10-21-14-16-22(29-2)17-15-21/h9,11,13-18H,3-8,10,12,19H2,1-2H3,(H,27,28)/b11-9+