[4-(5-undecylpyrimidin-2-yl)phenyl] 5-propylthiolane-2-carboxylate

Systemtic Name: [4-(5-undecylpyrimidin-2-yl)phenyl] 5-propylthiolane-2-carboxylate Openeye Name: [4-(5-undecylpyrimidin-2-yl)phenyl] 5-propyltetrahydrothiophene-2-carboxylate CAS Name: 5-propyl-2-thiolanecarboxylic acid [4-(5-undecyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-undecylpyrimidin-2-yl)phenyl] 5-propylthiolane-2-carboxylate Traditional Name: 5-propyltetrahydrothiophene-2-carboxylic acid [4-(5-undecylpyrimidin-2-yl)phenyl] ester Formula: C29H42N2O2S MolecularWeight: 482.72098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CCC(S3)CCC

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CCC(S3)CCC

InChI

InChI=1S/C29H42N2O2S/c1-3-5-6-7-8-9-10-11-12-14-23-21-30-28(31-22-23)24-15-17-25(18-16-24)33-29(32)27-20-19-26(34-27)13-4-2/h15-18,21-22,26-27H,3-14,19-20H2,1-2H3