4-[5-(8-prop-2-enoyloxyoctoxy)pyrimidin-2-yl]benzoic acid

Systemtic Name: 4-[5-(8-prop-2-enoyloxyoctoxy)pyrimidin-2-yl]benzoic acid Openeye Name: 4-[5-(8-prop-2-enoyloxyoctoxy)pyrimidin-2-yl]benzoic acid CAS Name: 4-[5-[8-(1-oxoprop-2-enoxy)octoxy]-2-pyrimidinyl]benzoic acid IUPAC Name: 4-[5-(8-prop-2-enoyloxyoctoxy)pyrimidin-2-yl]benzoic acid Traditional Name: 4-[5-(8-acryloyloxyoctoxy)pyrimidin-2-yl]benzoic acid Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C=CC(=O)OCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C22H26N2O5/c1-2-20(25)29-14-8-6-4-3-5-7-13-28-19-15-23-21(24-16-19)17-9-11-18(12-10-17)22(26)27/h2,9-12,15-16H,1,3-8,13-14H2,(H,26,27)