[5-(7-cyclopentylheptoxy)-2-pyrimidin-2-yl-phenyl] 2-chloranyloctanoate

Systemtic Name: [5-(7-cyclopentylheptoxy)-2-pyrimidin-2-yl-phenyl] 2-chloranyloctanoate Openeye Name: [5-(7-cyclopentylheptoxy)-2-pyrimidin-2-yl-phenyl] 2-chlorooctanoate CAS Name: 2-chlorooctanoic acid [5-(7-cyclopentylheptoxy)-2-(2-pyrimidinyl)phenyl] ester IUPAC Name: [5-(7-cyclopentylheptoxy)-2-pyrimidin-2-ylphenyl] 2-chlorooctanoate Traditional Name: 2-chlorocaprylic acid [5-(7-cyclopentylheptoxy)-2-(2-pyrimidyl)phenyl] ester Formula: C30H43ClN2O3 MolecularWeight: 515.12702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OC1=C(C=CC(=C1)OCCCCCCCC2CCCC2)C3=NC=CC=N3)Cl

Isomeric SMILES

CCCCCCC(C(=O)OC1=C(C=CC(=C1)OCCCCCCCC2CCCC2)C3=NC=CC=N3)Cl

InChI

InChI=1S/C30H43ClN2O3/c1-2-3-4-9-17-27(31)30(34)36-28-23-25(18-19-26(28)29-32-20-13-21-33-29)35-22-12-7-5-6-8-14-24-15-10-11-16-24/h13,18-21,23-24,27H,2-12,14-17,22H2,1H3