pyrimidin-2-yl 3-methoxy-4-(5-pentyloxan-2-yl)benzoate

Systemtic Name: pyrimidin-2-yl 3-methoxy-4-(5-pentyloxan-2-yl)benzoate Openeye Name: pyrimidin-2-yl 3-methoxy-4-(5-pentyltetrahydropyran-2-yl)benzoate CAS Name: 3-methoxy-4-(5-pentyl-2-oxanyl)benzoic acid 2-pyrimidinyl ester IUPAC Name: pyrimidin-2-yl 3-methoxy-4-(5-pentyloxan-2-yl)benzoate Traditional Name: 4-(5-amyltetrahydropyran-2-yl)-3-methoxy-benzoic acid 2-pyrimidyl ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(OC1)C2=C(C=C(C=C2)C(=O)OC3=NC=CC=N3)OC

Isomeric SMILES

CCCCCC1CCC(OC1)C2=C(C=C(C=C2)C(=O)OC3=NC=CC=N3)OC

InChI

InChI=1S/C22H28N2O4/c1-3-4-5-7-16-8-11-19(27-15-16)18-10-9-17(14-20(18)26-2)21(25)28-22-23-12-6-13-24-22/h6,9-10,12-14,16,19H,3-5,7-8,11,15H2,1-2H3