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

Systemtic Name: octan-2-yl (E)-3-[4-(5-nonylpyrimidin-2-yl)phenyl]prop-2-enoate Openeye Name: 1-methylheptyl (E)-3-[4-(5-nonylpyrimidin-2-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(5-nonyl-2-pyrimidinyl)phenyl]-2-propenoic acid octan-2-yl ester IUPAC Name: octan-2-yl (E)-3-[4-(5-nonylpyrimidin-2-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(5-nonylpyrimidin-2-yl)phenyl]acrylic acid 1-methylheptyl ester Formula: C30H44N2O2 MolecularWeight: 464.68256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C=CC(=O)OC(C)CCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C30H44N2O2/c1-4-6-8-10-11-12-14-16-27-23-31-30(32-24-27)28-20-17-26(18-21-28)19-22-29(33)34-25(3)15-13-9-7-5-2/h17-25H,4-16H2,1-3H3/b22-19+