[4-[2-[(E)-undec-9-enoxy]pyrimidin-5-yl]phenyl] 2-chloranyl-3-methyl-pentanoate

Systemtic Name: [4-[2-[(E)-undec-9-enoxy]pyrimidin-5-yl]phenyl] 2-chloranyl-3-methyl-pentanoate Openeye Name: [4-[2-[(E)-undec-9-enoxy]pyrimidin-5-yl]phenyl] 2-chloro-3-methyl-pentanoate CAS Name: 2-chloro-3-methylpentanoic acid [4-[2-[(E)-undec-9-enoxy]-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-[(E)-undec-9-enoxy]pyrimidin-5-yl]phenyl] 2-chloro-3-methylpentanoate Traditional Name: 2-chloro-3-methyl-valeric acid [4-[2-[(E)-undec-9-enoxy]pyrimidin-5-yl]phenyl] ester Formula: C27H37ClN2O3 MolecularWeight: 473.04728

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC=C(C=C1)C2=CN=C(N=C2)OCCCCCCCCC=CC)Cl

Isomeric SMILES

CCC(C)C(C(=O)OC1=CC=C(C=C1)C2=CN=C(N=C2)OCCCCCCCC/C=C/C)Cl

InChI

InChI=1S/C27H37ClN2O3/c1-4-6-7-8-9-10-11-12-13-18-32-27-29-19-23(20-30-27)22-14-16-24(17-15-22)33-26(31)25(28)21(3)5-2/h4,6,14-17,19-21,25H,5,7-13,18H2,1-3H3/b6-4+