octan-2-yl (E)-3-[4-(5-butylpyrimidin-2-yl)phenyl]prop-2-enoate

Systemtic Name: octan-2-yl (E)-3-[4-(5-butylpyrimidin-2-yl)phenyl]prop-2-enoate Openeye Name: 1-methylheptyl (E)-3-[4-(5-butylpyrimidin-2-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(5-butyl-2-pyrimidinyl)phenyl]-2-propenoic acid octan-2-yl ester IUPAC Name: octan-2-yl (E)-3-[4-(5-butylpyrimidin-2-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(5-butylpyrimidin-2-yl)phenyl]acrylic acid 1-methylheptyl ester Formula: C25H34N2O2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C=CC1=CC=C(C=C1)C2=NC=C(C=N2)CCCC

Isomeric SMILES

CCCCCCC(C)OC(=O)/C=C/C1=CC=C(C=C1)C2=NC=C(C=N2)CCCC

InChI

InChI=1S/C25H34N2O2/c1-4-6-8-9-10-20(3)29-24(28)17-14-21-12-15-23(16-13-21)25-26-18-22(19-27-25)11-7-5-2/h12-20H,4-11H2,1-3H3/b17-14+