methyl 5-[4-[chloranyl(pyridin-3-yl)methyl]phenyl]pentanoate

Systemtic Name: methyl 5-[4-[chloranyl(pyridin-3-yl)methyl]phenyl]pentanoate Openeye Name: methyl 5-[4-[chloro(3-pyridyl)methyl]phenyl]pentanoate CAS Name: 5-[4-[chloro(3-pyridinyl)methyl]phenyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[4-[chloro(pyridin-3-yl)methyl]phenyl]pentanoate Traditional Name: 5-[4-[chloro(3-pyridyl)methyl]phenyl]valeric acid methyl ester Formula: C18H20ClNO2 MolecularWeight: 317.8099

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1=CC=C(C=C1)C(C2=CN=CC=C2)Cl

Isomeric SMILES

COC(=O)CCCCC1=CC=C(C=C1)C(C2=CN=CC=C2)Cl

InChI

InChI=1S/C18H20ClNO2/c1-22-17(21)7-3-2-5-14-8-10-15(11-9-14)18(19)16-6-4-12-20-13-16/h4,6,8-13,18H,2-3,5,7H2,1H3