3-[1-[3-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenyl]propyl]oxirane-2-carboxylic acid

Systemtic Name: 3-[1-[3-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenyl]propyl]oxirane-2-carboxylic acid Openeye Name: 3-[1-[3-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenyl]propyl]oxirane-2-carboxylic acid CAS Name: 3-[1-[3-[5-(4-octoxyphenyl)-2-pyrimidinyl]phenyl]propyl]-2-oxiranecarboxylic acid IUPAC Name: 3-[1-[3-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenyl]propyl]oxirane-2-carboxylic acid Traditional Name: 3-[1-[3-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenyl]propyl]oxirane-2-carboxylic acid Formula: C30H36N2O4 MolecularWeight: 488.61784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC(=CC=C3)C(CC)C4C(O4)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC(=CC=C3)C(CC)C4C(O4)C(=O)O

InChI

InChI=1S/C30H36N2O4/c1-3-5-6-7-8-9-17-35-25-15-13-21(14-16-25)24-19-31-29(32-20-24)23-12-10-11-22(18-23)26(4-2)27-28(36-27)30(33)34/h10-16,18-20,26-28H,3-9,17H2,1-2H3,(H,33,34)