methyl 4-[4-[chloranyl(pyridin-4-yl)methyl]phenyl]butanoate

Systemtic Name: methyl 4-[4-[chloranyl(pyridin-4-yl)methyl]phenyl]butanoate Openeye Name: methyl 4-[4-[chloro(4-pyridyl)methyl]phenyl]butanoate CAS Name: 4-[4-[chloro(pyridin-4-yl)methyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[chloro(pyridin-4-yl)methyl]phenyl]butanoate Traditional Name: 4-[4-[chloro(4-pyridyl)methyl]phenyl]butyric acid methyl ester Formula: C17H18ClNO2 MolecularWeight: 303.78332

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=C(C=C1)C(C2=CC=NC=C2)Cl

Isomeric SMILES

COC(=O)CCCC1=CC=C(C=C1)C(C2=CC=NC=C2)Cl

InChI

InChI=1S/C17H18ClNO2/c1-21-16(20)4-2-3-13-5-7-14(8-6-13)17(18)15-9-11-19-12-10-15/h5-12,17H,2-4H2,1H3