[4-(5-undecylpyrimidin-2-yl)phenyl] 3-propoxy-1,2-oxazole-5-carboxylate

Systemtic Name: [4-(5-undecylpyrimidin-2-yl)phenyl] 3-propoxy-1,2-oxazole-5-carboxylate Openeye Name: [4-(5-undecylpyrimidin-2-yl)phenyl] 3-propoxyisoxazole-5-carboxylate CAS Name: 3-propoxy-5-isoxazolecarboxylic acid [4-(5-undecyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-undecylpyrimidin-2-yl)phenyl] 3-propoxy-1,2-oxazole-5-carboxylate Traditional Name: 3-propoxyisoxazole-5-carboxylic acid [4-(5-undecylpyrimidin-2-yl)phenyl] ester Formula: C28H37N3O4 MolecularWeight: 479.61108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=NO3)OCCC

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=NO3)OCCC

InChI

InChI=1S/C28H37N3O4/c1-3-5-6-7-8-9-10-11-12-13-22-20-29-27(30-21-22)23-14-16-24(17-15-23)34-28(32)25-19-26(31-35-25)33-18-4-2/h14-17,19-21H,3-13,18H2,1-2H3