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

Systemtic Name: 2-methylbutyl (E)-3-[4-(5-propylpyrimidin-2-yl)phenyl]prop-2-enoate Openeye Name: 2-methylbutyl (E)-3-[4-(5-propylpyrimidin-2-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(5-propyl-2-pyrimidinyl)phenyl]-2-propenoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl (E)-3-[4-(5-propylpyrimidin-2-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(5-propylpyrimidin-2-yl)phenyl]acrylic acid 2-methylbutyl ester Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)C2=CC=C(C=C2)C=CC(=O)OCC(C)CC

Isomeric SMILES

CCCC1=CN=C(N=C1)C2=CC=C(C=C2)/C=C/C(=O)OCC(C)CC

InChI

InChI=1S/C21H26N2O2/c1-4-6-18-13-22-21(23-14-18)19-10-7-17(8-11-19)9-12-20(24)25-15-16(3)5-2/h7-14,16H,4-6,15H2,1-3H3/b12-9+