phenyl 1-[5-(5-cyclopentylpentoxy)pyrimidin-2-yl]-4-hexyl-cyclohexane-1-carboxylate

Systemtic Name: phenyl 1-[5-(5-cyclopentylpentoxy)pyrimidin-2-yl]-4-hexyl-cyclohexane-1-carboxylate Openeye Name: phenyl 1-[5-(5-cyclopentylpentoxy)pyrimidin-2-yl]-4-hexyl-cyclohexanecarboxylate CAS Name: 1-[5-(5-cyclopentylpentoxy)-2-pyrimidinyl]-4-hexyl-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 1-[5-(5-cyclopentylpentoxy)pyrimidin-2-yl]-4-hexylcyclohexane-1-carboxylate Traditional Name: 1-[5-(5-cyclopentylpentoxy)pyrimidin-2-yl]-4-hexyl-cyclohexanecarboxylic acid phenyl ester Formula: C33H48N2O3 MolecularWeight: 520.74582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)(C2=NC=C(C=N2)OCCCCCC3CCCC3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CCCCCCC1CCC(CC1)(C2=NC=C(C=N2)OCCCCCC3CCCC3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C33H48N2O3/c1-2-3-4-7-15-28-20-22-33(23-21-28,32(36)38-29-18-9-5-10-19-29)31-34-25-30(26-35-31)37-24-13-6-8-14-27-16-11-12-17-27/h5,9-10,18-19,25-28H,2-4,6-8,11-17,20-24H2,1H3