4-(2-pent-4-enylpyrimidin-5-yl)benzoic acid

Systemtic Name: 4-(2-pent-4-enylpyrimidin-5-yl)benzoic acid Openeye Name: 4-(2-pent-4-enylpyrimidin-5-yl)benzoic acid CAS Name: 4-(2-pent-4-enyl-5-pyrimidinyl)benzoic acid IUPAC Name: 4-(2-pent-4-enylpyrimidin-5-yl)benzoic acid Traditional Name: 4-(2-pent-4-enylpyrimidin-5-yl)benzoic acid Formula: C16H16N2O2 MolecularWeight: 268.31044

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCC1=NC=C(C=N1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C=CCCCC1=NC=C(C=N1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H16N2O2/c1-2-3-4-5-15-17-10-14(11-18-15)12-6-8-13(9-7-12)16(19)20/h2,6-11H,1,3-5H2,(H,19,20)