[4-(5-octylpyrimidin-2-yl)phenyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C28H30N2O4/c1-2-3-4-5-6-7-8-22-18-29-28(30-19-22)23-11-13-24(14-12-23)34-27(31)16-10-21-9-15-25-26(17-21)33-20-32-25/h9-19H,2-8,20H2,1H3/b16-10+