2-methylbutyl (E)-3-[4-(5-nonylpyrimidin-2-yl)phenyl]prop-2-enoate

Systemtic Name: 2-methylbutyl (E)-3-[4-(5-nonylpyrimidin-2-yl)phenyl]prop-2-enoate Openeye Name: 2-methylbutyl (E)-3-[4-(5-nonylpyrimidin-2-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(5-nonyl-2-pyrimidinyl)phenyl]-2-propenoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl (E)-3-[4-(5-nonylpyrimidin-2-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(5-nonylpyrimidin-2-yl)phenyl]acrylic acid 2-methylbutyl ester Formula: C27H38N2O2 MolecularWeight: 422.60282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C=CC(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)/C=C/C(=O)OCC(C)CC

InChI

InChI=1S/C27H38N2O2/c1-4-6-7-8-9-10-11-12-24-19-28-27(29-20-24)25-16-13-23(14-17-25)15-18-26(30)31-21-22(3)5-2/h13-20,22H,4-12,21H2,1-3H3/b18-15+