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octyl 2-[4-[(6S)-6-methyloctoxy]phenyl]pyrimidine-5-carboxylate

octyl 2-[4-[(6S)-6-methyloctoxy]phenyl]pyrimidine-5-carboxylate

Systemtic Name:octyl 2-[4-[(6S)-6-methyloctoxy]phenyl]pyrimidine-5-carboxylate
Openeye Name:octyl 2-[4-[(6S)-6-methyloctoxy]phenyl]pyrimidine-5-carboxylate
CAS Name:2-[4-[(6S)-6-methyloctoxy]phenyl]-5-pyrimidinecarboxylic acid octyl ester
IUPAC Name:octyl 2-[4-[(6S)-6-methyloctoxy]phenyl]pyrimidine-5-carboxylate
Traditional Name:2-[4-[(6S)-6-methyloctoxy]phenyl]pyrimidine-5-carboxylic acid octyl ester
Formula: C28H42N2O3
MolecularWeight: 454.64468
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CN=C(N=C1)C2=CC=C(C=C2)OCCCCCC(C)CC


Isomeric SMILES

CCCCCCCCOC(=O)C1=CN=C(N=C1)C2=CC=C(C=C2)OCCCCC[C@@H](C)CC


InChI

InChI=1S/C28H42N2O3/c1-4-6-7-8-9-12-20-33-28(31)25-21-29-27(30-22-25)24-15-17-26(18-16-24)32-19-13-10-11-14-23(3)5-2/h15-18,21-23H,4-14,19-20H2,1-3H3/t23-/m0/s1


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