ethyl 3,4-bis[[4-[5-(8-prop-2-enoyloxyoctoxy)pyrimidin-2-yl]phenyl]carbonyloxy]benzoate

Systemtic Name: ethyl 3,4-bis[[4-[5-(8-prop-2-enoyloxyoctoxy)pyrimidin-2-yl]phenyl]carbonyloxy]benzoate Openeye Name: ethyl 3,4-bis[[4-[5-(8-prop-2-enoyloxyoctoxy)pyrimidin-2-yl]benzoyl]oxy]benzoate CAS Name: 3,4-bis[oxo-[4-[5-[8-(1-oxoprop-2-enoxy)octoxy]-2-pyrimidinyl]phenyl]methoxy]benzoic acid ethyl ester IUPAC Name: ethyl 3,4-bis[[4-[5-(8-prop-2-enoyloxyoctoxy)pyrimidin-2-yl]benzoyl]oxy]benzoate Traditional Name: 3,4-bis[[4-[5-(8-acryloyloxyoctoxy)pyrimidin-2-yl]benzoyl]oxy]benzoic acid ethyl ester Formula: C53H58N4O12 MolecularWeight: 943.04722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)OCCCCCCCCOC(=O)C=C)OC(=O)C4=CC=C(C=C4)C5=NC=C(C=N5)OCCCCCCCCOC(=O)C=C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)OCCCCCCCCOC(=O)C=C)OC(=O)C4=CC=C(C=C4)C5=NC=C(C=N5)OCCCCCCCCOC(=O)C=C

InChI

InChI=1S/C53H58N4O12/c1-4-47(58)66-31-17-13-9-7-11-15-29-64-43-34-54-49(55-35-43)38-19-23-40(24-20-38)52(61)68-45-28-27-42(51(60)63-6-3)33-46(45)69-53(62)41-25-21-39(22-26-41)50-56-36-44(37-57-50)65-30-16-12-8-10-14-18-32-67-48(59)5-2/h4-5,19-28,33-37H,1-2,6-18,29-32H2,3H3