octan-2-yl 4-[(E)-2-[4-(5-propylpyrimidin-2-yl)phenyl]ethenyl]benzoate

Systemtic Name: octan-2-yl 4-[(E)-2-[4-(5-propylpyrimidin-2-yl)phenyl]ethenyl]benzoate Openeye Name: 1-methylheptyl 4-[(E)-2-[4-(5-propylpyrimidin-2-yl)phenyl]vinyl]benzoate CAS Name: 4-[(E)-2-[4-(5-propyl-2-pyrimidinyl)phenyl]ethenyl]benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-[(E)-2-[4-(5-propylpyrimidin-2-yl)phenyl]ethenyl]benzoate Traditional Name: 4-[(E)-2-[4-(5-propylpyrimidin-2-yl)phenyl]vinyl]benzoic acid 1-methylheptyl ester Formula: C30H36N2O2 MolecularWeight: 456.61904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)C=CC2=CC=C(C=C2)C3=NC=C(C=N3)CCC

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C3=NC=C(C=N3)CCC

InChI

InChI=1S/C30H36N2O2/c1-4-6-7-8-10-23(3)34-30(33)28-19-15-25(16-20-28)12-11-24-13-17-27(18-14-24)29-31-21-26(9-5-2)22-32-29/h11-23H,4-10H2,1-3H3/b12-11+